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

Systemtic Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C22H17FN4OS MolecularWeight: 404.459983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C)F

InChI

InChI=1S/C22H17FN4OS/c1-13-7-8-15(10-17(13)23)25-20(28)12-29-21-9-14(2)16(11-24)22-26-18-5-3-4-6-19(18)27(21)22/h3-10H,12H2,1-2H3,(H,25,28)