6-methyl-1-(2-methylsulfanylphenyl)-4-(1H-pyrazol-4-ylmethyl)piperazin-2-one

Systemtic Name: 6-methyl-1-(2-methylsulfanylphenyl)-4-(1H-pyrazol-4-ylmethyl)piperazin-2-one Openeye Name: 6-methyl-1-(2-methylsulfanylphenyl)-4-(1H-pyrazol-4-ylmethyl)piperazin-2-one CAS Name: 6-methyl-1-[2-(methylthio)phenyl]-4-(1H-pyrazol-4-ylmethyl)-2-piperazinone IUPAC Name: 6-methyl-1-(2-methylsulfanylphenyl)-4-(1H-pyrazol-4-ylmethyl)piperazin-2-one Traditional Name: 6-methyl-1-[2-(methylthio)phenyl]-4-(1H-pyrazol-4-ylmethyl)piperazin-2-one Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(=O)N1C2=CC=CC=C2SC)CC3=CNN=C3

Isomeric SMILES

CC1CN(CC(=O)N1C2=CC=CC=C2SC)CC3=CNN=C3

InChI

InChI=1S/C16H20N4OS/c1-12-9-19(10-13-7-17-18-8-13)11-16(21)20(12)14-5-3-4-6-15(14)22-2/h3-8,12H,9-11H2,1-2H3,(H,17,18)