6-[3-(4-methylphenyl)-2-(phenylmethylsulfanyl)benzimidazol-5-yl]oxyhexanoic acid

Systemtic Name: 6-[3-(4-methylphenyl)-2-(phenylmethylsulfanyl)benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[2-benzylsulfanyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[3-(4-methylphenyl)-2-(phenylmethylthio)-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[2-benzylsulfanyl-3-(4-methylphenyl)benzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[2-(benzylthio)-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=CC(=C3)OCCCCCC(=O)O)N=C2SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=CC(=C3)OCCCCCC(=O)O)N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3S/c1-20-11-13-22(14-12-20)29-25-18-23(32-17-7-3-6-10-26(30)31)15-16-24(25)28-27(29)33-19-21-8-4-2-5-9-21/h2,4-5,8-9,11-16,18H,3,6-7,10,17,19H2,1H3,(H,30,31)