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

Systemtic Name: [2-(3-chlorophenyl)-5-methyl-pyrazol-3-yl]-[4-(3-methylsulfanylphenyl)piperazin-1-yl]methanone Openeye Name: [2-(3-chlorophenyl)-5-methyl-pyrazol-3-yl]-[4-(3-methylsulfanylphenyl)piperazin-1-yl]methanone CAS Name: [2-(3-chlorophenyl)-5-methyl-3-pyrazolyl]-[4-[3-(methylthio)phenyl]-1-piperazinyl]methanone IUPAC Name: [2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-[4-(3-methylsulfanylphenyl)piperazin-1-yl]methanone Traditional Name: [2-(3-chlorophenyl)-5-methyl-pyrazol-3-yl]-[4-[3-(methylthio)phenyl]piperazino]methanone Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4OS/c1-16-13-21(27(24-16)19-7-3-5-17(23)14-19)22(28)26-11-9-25(10-12-26)18-6-4-8-20(15-18)29-2/h3-8,13-15H,9-12H2,1-2H3