6-[3-(4-methylphenyl)-2-phenyl-7-sulfanyl-benzimidazol-5-yl]oxyhexanoic acid

Systemtic Name: 6-[3-(4-methylphenyl)-2-phenyl-7-sulfanyl-benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[2-phenyl-3-(p-tolyl)-7-sulfanyl-benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[7-mercapto-3-(4-methylphenyl)-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[3-(4-methylphenyl)-2-phenyl-7-sulfanylbenzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[7-mercapto-2-phenyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC(=CC(=C3N=C2C4=CC=CC=C4)S)OCCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC(=CC(=C3N=C2C4=CC=CC=C4)S)OCCCCCC(=O)O

InChI

InChI=1S/C26H26N2O3S/c1-18-11-13-20(14-12-18)28-22-16-21(31-15-7-3-6-10-24(29)30)17-23(32)25(22)27-26(28)19-8-4-2-5-9-19/h2,4-5,8-9,11-14,16-17,32H,3,6-7,10,15H2,1H3,(H,29,30)