2-[4-[[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylmethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[[[3-(1H-benzimidazol-2-yl)-2-pyridyl]thio]methyl]phenyl]acetic acid Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=C(N=CC=C3)SCC4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=C(N=CC=C3)SCC4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C21H17N3O2S/c25-19(26)12-14-7-9-15(10-8-14)13-27-21-16(4-3-11-22-21)20-23-17-5-1-2-6-18(17)24-20/h1-11H,12-13H2,(H,23,24)(H,25,26)