2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

InChI

InChI=1S/C23H19N5O3S/c1-13-8-18(20(28(30)31)9-14(13)2)25-21(29)12-32-22-10-15(3)16(11-24)23-26-17-6-4-5-7-19(17)27(22)23/h4-10H,12H2,1-3H3,(H,25,29)