2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-1-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone Formula: C24H21ClN2O3S MolecularWeight: 452.95314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl)OC

InChI

InChI=1S/C24H21ClN2O3S/c1-29-22-11-8-17(12-23(22)30-2)21(28)15-31-24-26-19-13-18(25)9-10-20(19)27(24)14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3