N,N-bis(2-cyanoethyl)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]acetamide Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N(CCC#N)CCC#N)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N(CCC#N)CCC#N)C#N

InChI

InChI=1S/C21H18N6OS/c1-15-12-20(29-14-19(28)26(10-4-8-22)11-5-9-23)27-18-7-3-2-6-17(18)25-21(27)16(15)13-24/h2-3,6-7,12H,4-5,10-11,14H2,1H3