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

Systemtic Name: (4-chlorophenyl)-(3,5-dimethyl-4-pyrimidin-2-ylsulfanyl-pyrazol-1-yl)methanone Openeye Name: (4-chlorophenyl)-(3,5-dimethyl-4-pyrimidin-2-ylsulfanyl-pyrazol-1-yl)methanone CAS Name: (4-chlorophenyl)-[3,5-dimethyl-4-(2-pyrimidinylthio)-1-pyrazolyl]methanone IUPAC Name: (4-chlorophenyl)-(3,5-dimethyl-4-pyrimidin-2-ylsulfanylpyrazol-1-yl)methanone Traditional Name: (4-chlorophenyl)-[3,5-dimethyl-4-(2-pyrimidylthio)pyrazol-1-yl]methanone Formula: C16H13ClN4OS MolecularWeight: 344.81862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)Cl)C)SC3=NC=CC=N3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)Cl)C)SC3=NC=CC=N3

InChI

InChI=1S/C16H13ClN4OS/c1-10-14(23-16-18-8-3-9-19-16)11(2)21(20-10)15(22)12-4-6-13(17)7-5-12/h3-9H,1-2H3