2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(3,5-dimethylphenyl)acetamide Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=CC(=CC(=C4)C)C)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=CC(=CC(=C4)C)C)C#N

InChI

InChI=1S/C24H22N4OS/c1-4-17-12-23(30-14-22(29)26-18-10-15(2)9-16(3)11-18)28-21-8-6-5-7-20(21)27-24(28)19(17)13-25/h5-12H,4,14H2,1-3H3,(H,26,29)