benzoic acid; 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzene-1,2-diol

Systemtic Name: benzoic acid; 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzene-1,2-diol Openeye Name: benzoic acid; 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzene-1,2-diol CAS Name: benzoic acid; 4-[(3H-imidazo[4,5-c]pyridin-2-ylthio)methyl]benzene-1,2-diol IUPAC Name: benzoic acid; 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzene-1,2-diol Traditional Name: benzoic acid; 4-[(3H-imidazo[4,5-c]pyridin-2-ylthio)methyl]pyrocatechol Formula: C27H23N3O6S MolecularWeight: 517.55302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O2S.2C7H6O2/c17-11-2-1-8(5-12(11)18)7-19-13-15-9-3-4-14-6-10(9)16-13;2*8-7(9)6-4-2-1-3-5-6/h1-6,17-18H,7H2,(H,15,16);2*1-5H,(H,8,9)