(3,5-dimethyl-4-pyrimidin-2-ylsulfanyl-pyrazol-1-yl)-(4-methylphenyl)methanone

Systemtic Name: (3,5-dimethyl-4-pyrimidin-2-ylsulfanyl-pyrazol-1-yl)-(4-methylphenyl)methanone Openeye Name: (3,5-dimethyl-4-pyrimidin-2-ylsulfanyl-pyrazol-1-yl)-(p-tolyl)methanone CAS Name: [3,5-dimethyl-4-(2-pyrimidinylthio)-1-pyrazolyl]-(4-methylphenyl)methanone IUPAC Name: (3,5-dimethyl-4-pyrimidin-2-ylsulfanylpyrazol-1-yl)-(4-methylphenyl)methanone Traditional Name: [3,5-dimethyl-4-(2-pyrimidylthio)pyrazol-1-yl]-(p-tolyl)methanone Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(=C(C(=N2)C)SC3=NC=CC=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(=C(C(=N2)C)SC3=NC=CC=N3)C

InChI

InChI=1S/C17H16N4OS/c1-11-5-7-14(8-6-11)16(22)21-13(3)15(12(2)20-21)23-17-18-9-4-10-19-17/h4-10H,1-3H3