N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)-3-pyridin-2-ylsulfanyl-propanamide

Systemtic Name: N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)-3-pyridin-2-ylsulfanyl-propanamide Openeye Name: N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-3-(2-pyridylsulfanyl)propanamide CAS Name: N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-3-(2-pyridinylthio)propanamide IUPAC Name: N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide Traditional Name: N-(5-keto-1-phenyl-3-pyrazolin-3-yl)-3-(2-pyridylthio)propionamide Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C=C(N2)NC(=O)CCSC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C=C(N2)NC(=O)CCSC3=CC=CC=N3

InChI

InChI=1S/C17H16N4O2S/c22-15(9-11-24-16-8-4-5-10-18-16)19-14-12-17(23)21(20-14)13-6-2-1-3-7-13/h1-8,10,12,20H,9,11H2,(H,19,22)