N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-quinolin-2-ylsulfanyl-butanamide

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(2-quinolylsulfanyl)butanamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-(2-quinolinylthio)butanamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(2-quinolylthio)butyramide Formula: C23H19N5OS MolecularWeight: 413.49486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H19N5OS/c1-2-20(30-21-13-12-16-8-6-7-11-19(16)26-21)23(29)27-22-17(14-24)15-25-28(22)18-9-4-3-5-10-18/h3-13,15,20H,2H2,1H3,(H,27,29)