Code/trivial namea	IUPAC name/SMILES notation/InChiKeyb	Structural formulac
Thiophanate‐methyl	dimethyl (1,2‐phenylenedicarbamothioyl)dicarbamate S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC QGHREAKMXXNCOA‐UHFFFAOYSA‐N
Carbendazim MBC, CF‐27	methyl 1H‐benzimidazol‐2‐ylcarbamate O=C(OC)Nc1nc2ccccc2[NH]1 TWFZGCMQGLPBSX‐UHFFFAOYSA‐N
2‐AB	1H‐benzimidazol‐2‐amine Nc1nc2ccccc2[NH]1 JWYUFVNJZUSCSM‐UHFFFAOYSA‐N
FH‐432	dimethyl (1,2‐phenylenedicarbamoyl)biscarbamate O=C(Nc1ccccc1NC(=O)NC(=O)OC)NC(=O)OC ASZYYQWGTGVAMG‐UHFFFAOYSA‐N
DX‐105	methyl [(2‐{[(methoxycarbonyl)carbamothioyl]amino}phenyl)carbamoyl]carbamate S=C(Nc1ccccc1NC(=O)NC(=O)OC)NC(=O)OC NPQZXKVOYZCOW‐UHFFFAOYSA‐N
4‐hydroxy‐carbendazim 4‐OH‐MBC	methyl (4‐hydroxy‐1H‐benzimidazol‐2‐yl)carbamate O=C(OC)Nc1nc2c(cccc2O)[NH]1 GQINHLNACVSEKE‐UHFFFAOYSA‐N
5‐hydroxy‐carbendazim 5‐OH‐MBC FH 622	methyl (5‐hydroxy‐1H‐benzimidazol‐2‐yl)carbamate O=C(OC)Nc1nc2cc(O)ccc2[NH]1 UINGPWWYGSJYAY‐UHFFFAOYSA‐N
5‐hydroxy‐carbendazim sulfate 5‐hydroxy‐carbendazim‐S 5‐OH-MBC‐S	methyl [5‐(sulfooxy)‐1H‐benzimidazol‐2‐yl]carbamate O=S(=O)(O)Oc1cc2nc(NC(=O)OC)[NH]c2cc1 ZRHUZHWZOGOGOT‐UHFFFAOYSA‐N

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

^bACD/Name 2019.1.3 ACD/Labs 2019 Release (File version N05E41, Build 111418, 3 September 2019).

^cACD/ChemSketch 2019.1.3 ACD/Labs 2019 Release (File version C05H41, Build 111302, 27 August 2019).