N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]acetamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3N2CCC#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3N2CCC#N)C

InChI

InChI=1S/C20H19ClN4OS/c1-13-10-14(2)19(15(21)11-13)24-18(26)12-27-20-23-16-6-3-4-7-17(16)25(20)9-5-8-22/h3-4,6-7,10-11H,5,9,12H2,1-2H3,(H,24,26)