N-(5-chloranyl-2-cyano-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C22H15ClN4OS MolecularWeight: 418.8987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

InChI

InChI=1S/C22H15ClN4OS/c23-16-11-10-15(13-24)19(12-16)25-21(28)14-29-22-26-18-8-4-5-9-20(18)27(22)17-6-2-1-3-7-17/h1-12H,14H2,(H,25,28)