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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(2-pyrimidinylthio)propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(2-pyrimidylthio)propionamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NC=CC=N3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NC=CC=N3

InChI

InChI=1S/C18H19N5O2S/c1-12-15(17(25)23(22(12)3)14-8-5-4-6-9-14)21-16(24)13(2)26-18-19-10-7-11-20-18/h4-11,13H,1-3H3,(H,21,24)