1-[2-(4-chlorophenyl)-7-methyl-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

Systemtic Name: 1-[2-(4-chlorophenyl)-7-methyl-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidin-6-yl]ethanone Openeye Name: 1-[2-(4-chlorophenyl)-7-methyl-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidin-6-yl]ethanone CAS Name: 1-[2-(4-chlorophenyl)-7-methyl-5-(methylthio)-6-pyrazolo[1,5-a]pyrimidinyl]ethanone IUPAC Name: 1-[2-(4-chlorophenyl)-7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone Traditional Name: 1-[2-(4-chlorophenyl)-7-methyl-5-(methylthio)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone Formula: C16H14ClN3OS MolecularWeight: 331.81986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC(=NN12)C3=CC=C(C=C3)Cl)SC)C(=O)C

Isomeric SMILES

CC1=C(C(=NC2=CC(=NN12)C3=CC=C(C=C3)Cl)SC)C(=O)C

InChI

InChI=1S/C16H14ClN3OS/c1-9-15(10(2)21)16(22-3)18-14-8-13(19-20(9)14)11-4-6-12(17)7-5-11/h4-8H,1-3H3