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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(2-pyrimidylthio)acetamide Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H17N5O2S/c1-12-15(20-14(23)11-25-17-18-9-6-10-19-17)16(24)22(21(12)2)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,20,23)