4-[3-(1H-benzimidazol-2-ylsulfanyl)-2-oxidanylidene-propanehydrazonoyl]benzoic acid

Systemtic Name: 4-[3-(1H-benzimidazol-2-ylsulfanyl)-2-oxidanylidene-propanehydrazonoyl]benzoic acid Openeye Name: 4-[3-(1H-benzimidazol-2-ylsulfanyl)-2-oxo-propanehydrazonoyl]benzoic acid CAS Name: 4-[(1E)-3-(1H-benzimidazol-2-ylthio)-1-hydrazinylidene-2-oxopropyl]benzoic acid IUPAC Name: 4-[3-(1H-benzimidazol-2-ylsulfanyl)-2-oxopropanehydrazonoyl]benzoic acid Traditional Name: 4-[3-(1H-benzimidazol-2-ylthio)-2-keto-propanehydrazonoyl]benzoic acid Formula: C17H14N4O3S MolecularWeight: 354.38306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)C(=NN)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)/C(=N/N)/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N4O3S/c18-21-15(10-5-7-11(8-6-10)16(23)24)14(22)9-25-17-19-12-3-1-2-4-13(12)20-17/h1-8H,9,18H2,(H,19,20)(H,23,24)/b21-15+