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

Systemtic Name: 2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylpropanoic acid Openeye Name: 2-(1-benzylbenzimidazol-2-yl)sulfanylpropanoic acid CAS Name: 2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]propanoic acid IUPAC Name: 2-(1-benzylbenzimidazol-2-yl)sulfanylpropanoic acid Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)thio]propionic acid Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2S/c1-12(16(20)21)22-17-18-14-9-5-6-10-15(14)19(17)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,20,21)