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

Systemtic Name: benzoic acid; 3-(3H-imidazo[4,5-c]pyridin-2-ylsulfinylmethyl)phenol Openeye Name: benzoic acid; 3-(3H-imidazo[4,5-c]pyridin-2-ylsulfinylmethyl)phenol CAS Name: benzoic acid; 3-(3H-imidazo[4,5-c]pyridin-2-ylsulfinylmethyl)phenol IUPAC Name: benzoic acid; 3-(3H-imidazo[4,5-c]pyridin-2-ylsulfinylmethyl)phenol Traditional Name: benzoic acid; 3-(3H-imidazo[4,5-c]pyridin-2-ylsulfinylmethyl)phenol Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC(=CC(=C1)O)CS(=O)C2=NC3=C(N2)C=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC(=CC(=C1)O)CS(=O)C2=NC3=C(N2)C=NC=C3

InChI

InChI=1S/C13H11N3O2S.C7H6O2/c17-10-3-1-2-9(6-10)8-19(18)13-15-11-4-5-14-7-12(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)