2-(4-cyano-3-propyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(4-nitrophenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C23H19N5O3S/c1-2-5-15-12-22(27-20-7-4-3-6-19(20)26-23(27)18(15)13-24)32-14-21(29)25-16-8-10-17(11-9-16)28(30)31/h3-4,6-12H,2,5,14H2,1H3,(H,25,29)