N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-pyridin-2-ylsulfanyl-propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-pyridin-2-ylsulfanyl-propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(2-pyridylsulfanyl)propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(2-pyridinylthio)propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-pyridin-2-ylsulfanylpropanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(2-pyridylthio)propionamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=CC=CC=N3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=CC=CC=N3

InChI

InChI=1S/C19H20N4O2S/c1-14-18(19(25)23(22(14)2)15-8-4-3-5-9-15)21-16(24)11-13-26-17-10-6-7-12-20-17/h3-10,12H,11,13H2,1-2H3,(H,21,24)