4-(1-phenylbenzimidazol-2-yl)sulfanylbutanoic acid

Systemtic Name: 4-(1-phenylbenzimidazol-2-yl)sulfanylbutanoic acid Openeye Name: 4-(1-phenylbenzimidazol-2-yl)sulfanylbutanoic acid CAS Name: 4-[(1-phenyl-2-benzimidazolyl)thio]butanoic acid IUPAC Name: 4-(1-phenylbenzimidazol-2-yl)sulfanylbutanoic acid Traditional Name: 4-[(1-phenylbenzimidazol-2-yl)thio]butyric acid Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCCC(=O)O

InChI

InChI=1S/C17H16N2O2S/c20-16(21)11-6-12-22-17-18-14-9-4-5-10-15(14)19(17)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,20,21)