3-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylpropanoic acid Openeye Name: 3-(1-benzylbenzimidazol-2-yl)sulfanylpropanoic acid CAS Name: 3-[[1-(phenylmethyl)-2-benzimidazolyl]thio]propanoic acid IUPAC Name: 3-(1-benzylbenzimidazol-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(1-benzylbenzimidazol-2-yl)thio]propionic acid Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCCC(=O)O

InChI

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