4-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

Systemtic Name: 4-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid Openeye Name: 4-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid CAS Name: 4-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-methoxyphenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid IUPAC Name: 4-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid Traditional Name: 4-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-methoxy-phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)NC=N3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)NC=N3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H21N5O3S/c1-30-18-7-6-12(19-20-16(23-11-24-20)9-17(25-19)21(28)29)8-13(18)10-31-22-26-14-4-2-3-5-15(14)27-22/h2-8,11,17,19,25H,9-10H2,1H3,(H,23,24)(H,26,27)(H,28,29)