2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide

Systemtic Name: 2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

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