2-[4-[[5-(6-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylmethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[5-(6-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridyl]sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[5-(6-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridyl]thio]methyl]phenyl]acetic acid Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3=CN=C(C=C3)SCC4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C3=CN=C(C=C3)SCC4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C22H19N3O2S/c1-14-2-8-18-19(10-14)25-22(24-18)17-7-9-20(23-12-17)28-13-16-5-3-15(4-6-16)11-21(26)27/h2-10,12H,11,13H2,1H3,(H,24,25)(H,26,27)