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

Systemtic Name: 2-(4-cyano-3-propyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(4-cyano-3-propyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(4-cyano-3-propyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(4-cyano-3-propyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C28H26N6O2S MolecularWeight: 510.61004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C#N

InChI

InChI=1S/C28H26N6O2S/c1-4-10-19-15-25(33-23-14-9-8-13-22(23)30-27(33)21(19)16-29)37-17-24(35)31-26-18(2)32(3)34(28(26)36)20-11-6-5-7-12-20/h5-9,11-15H,4,10,17H2,1-3H3,(H,31,35)