4-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-(1-benzylbenzimidazol-2-yl)sulfanylbutanoic acid CAS Name: 4-[[1-(phenylmethyl)-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-(1-benzylbenzimidazol-2-yl)sulfanylbutanoic acid Traditional Name: 4-[(1-benzylbenzimidazol-2-yl)thio]butyric acid Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCCCC(=O)O

InChI

InChI=1S/C18H18N2O2S/c21-17(22)11-6-12-23-18-19-15-9-4-5-10-16(15)20(18)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,21,22)