[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-methoxy-phenyl] benzoate

Systemtic Name: [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-methoxy-phenyl] benzoate Openeye Name: [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(3H-imidazo[4,5-c]pyridin-2-ylthio)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(3H-imidazo[4,5-c]pyridin-2-ylthio)methyl]-2-methoxy-phenyl] ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CSC2=NC3=C(N2)C=NC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CSC2=NC3=C(N2)C=NC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S/c1-26-19-11-14(13-28-21-23-16-9-10-22-12-17(16)24-21)7-8-18(19)27-20(25)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,24)