Code/trivial namea	IUPAC name/SMILES notation/InChiKeyb	Structural formulab
Thiacloprid YRC 2894	{(Z)‐3‐[(6‐chloro‐3‐pyridyl)methyl]thiazolidin‐2‐ylidene}cyanamide N#C/N=C1SCCN\1CC2=CC=C(Cl)N=C2 HOKKPVIRMVDYPB‐UVTDQMKNSA‐N
M01 4‐hydroxy‐YRC 2894	(Z)‐N‐(3‐((6‐chloropyridin‐3‐yl)methyl)‐4‐ ydroxythiazolidin‐2‐ylidene)cyanamide ClC1=NC=C(CN2C(O)CS/C2=N\C#N)C=C1 XXFNYZIMZUWOAV‐UVTDQMKNSA‐N
M02 thiacloprid‐amide Amide‐YRC2894	(Z)‐1‐(3‐((6‐chloropyridin‐3‐yl)methyl)thiazolidin‐2‐ylidene)urea O=C(N)/N=C1SCCN\1CC2=CC=C(Cl)N=C2 LEZHOZPJYAQQNU‐UVTDQMKNSA‐N
M03 6‐chloronicotinic acid IC‐0 6‐CNA	6‐chloronicotinic acid ClC1=NC=C(C(O)=O)C=C1 UAWMVMPAYRWUFX‐UHFFFAOYSA‐N
M07	(6‐chloronicotinoyl)glycine ClC1=NC=C(C=C1)C(NCC(O)=O)=O VGSLNHSCEKVAIM‐UHFFFAOYSA‐N
M29 thiacloprid‐des‐cyano	3‐((6‐chloropyridin‐3‐yl)methyl)thiazolidin‐2‐imine N=C1SCCN1CC2=CC=C(Cl)N=C2 WJLMZDWUGGHQEH‐UHFFFAOYSA‐N
M30 thiacloprid‐sulfonic acid YRC2894 sodium Sulfonate	2‐(3‐carbamoyl‐1‐((6‐chloropyridin‐3‐yl)methyl)ureido)ethane‐1‐sulfonic acid ClC1=CC=C(C=N1)CN(C(NC(N)=O)=O)CCS(=O)(O)=O UCZRQNICFJGZAI‐UHFFFAOYSA‐N
M31 6‐chloropicolyl urea	1‐((6‐chloropyridin‐3‐yl)methyl)urea O=C(N)NCC1=CC=C(Cl)N=C1 GDAKHACCQXCCDP‐UHFFFAOYSA‐N
M34 thiacloprid‐sulfonic acid amide	2‐(1‐((6‐chloropyridin‐3‐yl)methyl)ureido)ethane‐1‐sulfonic acid ClC1=CC=C(CN(CCS(=O)(O)=O)C(N)=O)C=N1 NTWIWWZFSUKDGZ‐UHFFFAOYSA‐N
M36 6‐CPA (free)	(6‐chloropyridin‐3‐yl)methanol OCC1=CN=C(Cl)C=C1 GOXYBEXWMJZLJB‐UHFFFAOYSA‐N
M37 4‐hydroxy YRC2894 Amide	(Z)‐1‐(3‐(4‐chlorobenzyl)‐4‐hydroxythiazolidin‐2‐ylidene)urea NC(/N=C1SCC(N\1CC2=CC=C(C=C2)Cl)O)=O RSPMUINZMOFWAG‐KAMYIIQDSA‐N
M38 YRC 2894 olefin	(Z)‐N‐(3‐((6‐chloropyridin‐3‐yl)methyl)thiazol‐2(3H)‐ylidene)cyanamide ClC1=CC=C(C=N1)CN2C=CS/C2=N\C#N GSPNWTCHDVQYCA‐UVTDQMKNSA‐N
M46 thiacloprid‐thiadiazine Z5	4‐((6‐chloropyridin‐3‐yl)methyl)‐1,2,4‐thiadiazinan‐3‐one 1,1‐dioxide O=C(N(CC1=CC=C(Cl)N=C1)CC2)NS2(=O)=O VGRVYZQGUVEBCR‐UHFFFAOYSA‐N
M49	1‐((6‐chloropyridin‐3‐yl)methyl)‐2‐hydroxy‐5‐oxopyrrolidine‐2‐carboxylic acid OC(C1(CCC(N1CC2=CN=C(Cl)C=C2)=O)O)=O VMMDPMFMLQDEDM‐UHFFFAOYSA‐N

IUPAC: International Union of Pure and Applied Chemistry; SMILES: simplified molecular‐input line‐entry system; InChiKey: International Chemical Identifier Key.

^aThe metabolite name in bold is the name used in the conclusion.

^bChemBioDraw v.13.0.2.3021.