benzoic acid; 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenol

Systemtic Name: benzoic acid; 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenol Openeye Name: benzoic acid; 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenol CAS Name: benzoic acid; 4-[(3H-imidazo[4,5-c]pyridin-2-ylthio)methyl]phenol IUPAC Name: benzoic acid; 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenol Traditional Name: benzoic acid; 4-[(3H-imidazo[4,5-c]pyridin-2-ylthio)methyl]phenol Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC(=CC=C1CSC2=NC3=C(N2)C=NC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC(=CC=C1CSC2=NC3=C(N2)C=NC=C3)O

InChI

InChI=1S/C13H11N3OS.C7H6O2/c17-10-3-1-9(2-4-10)8-18-13-15-11-5-6-14-7-12(11)16-13;8-7(9)6-4-2-1-3-5-6/h1-7,17H,8H2,(H,15,16);1-5H,(H,8,9)