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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CN=CC2=C1N=C(N2)SCC3=CC(=CC(=C3)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CN=CC2=C1N=C(N2)SCC3=CC(=CC(=C3)O)O

InChI

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