phenyl-[2-(sulfanylmethyl)-3H-benzimidazol-5-yl]methanone hydrochloride

Systemtic Name: phenyl-[2-(sulfanylmethyl)-3H-benzimidazol-5-yl]methanone hydrochloride Openeye Name: phenyl-[2-(sulfanylmethyl)-3H-benzimidazol-5-yl]methanone hydrochloride CAS Name: [2-(mercaptomethyl)-3H-benzimidazol-5-yl]-phenylmethanone hydrochloride IUPAC Name: phenyl-[2-(sulfanylmethyl)-3H-benzimidazol-5-yl]methanone hydrochloride Traditional Name: [2-(mercaptomethyl)-3H-benzimidazol-5-yl]-phenyl-methanone hydrochloride Formula: C15H13ClN2OS MolecularWeight: 304.79452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)CS.Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)CS.Cl

InChI

InChI=1S/C15H12N2OS.ClH/c18-15(10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-14(9-19)16-12;/h1-8,19H,9H2,(H,16,17);1H