(5-methyl-2-phenyl-pyrazol-3-yl)-[4-(2-methylsulfanylphenyl)piperazin-1-yl]methanone

Systemtic Name: (5-methyl-2-phenyl-pyrazol-3-yl)-[4-(2-methylsulfanylphenyl)piperazin-1-yl]methanone Openeye Name: (5-methyl-2-phenyl-pyrazol-3-yl)-[4-(2-methylsulfanylphenyl)piperazin-1-yl]methanone CAS Name: (5-methyl-2-phenyl-3-pyrazolyl)-[4-[2-(methylthio)phenyl]-1-piperazinyl]methanone IUPAC Name: (5-methyl-2-phenylpyrazol-3-yl)-[4-(2-methylsulfanylphenyl)piperazin-1-yl]methanone Traditional Name: (5-methyl-2-phenyl-pyrazol-3-yl)-[4-[2-(methylthio)phenyl]piperazino]methanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3SC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3SC)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c1-17-16-20(26(23-17)18-8-4-3-5-9-18)22(27)25-14-12-24(13-15-25)19-10-6-7-11-21(19)28-2/h3-11,16H,12-15H2,1-2H3