2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(2,6-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=C(C=CC=C4C)C)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=C(C=CC=C4C)C)C#N

InChI

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