2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 2-(1-benzylbenzimidazol-2-yl)sulfanylbutanoic acid CAS Name: 2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 2-(1-benzylbenzimidazol-2-yl)sulfanylbutanoic acid Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)thio]butyric acid Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC2=CC=CC=C2N1CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)O)SC1=NC2=CC=CC=C2N1CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O2S/c1-2-16(17(21)22)23-18-19-14-10-6-7-11-15(14)20(18)12-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H,21,22)