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

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-quinolin-2-ylsulfanyl-propanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(2-quinolylsulfanyl)propanamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-(2-quinolinylthio)propanamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-quinolin-2-ylsulfanylpropanamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(2-quinolylthio)propionamide Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5OS/c1-15(29-20-12-11-16-7-5-6-10-19(16)25-20)22(28)26-21-17(13-23)14-24-27(21)18-8-3-2-4-9-18/h2-12,14-15H,1H3,(H,26,28)