[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanethione

Systemtic Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanethione Openeye Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-[4-(p-tolyl)piperazin-1-yl]methanethione CAS Name: [3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-[4-(4-methylphenyl)-1-piperazinyl]methanethione IUPAC Name: [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanethione Traditional Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-[4-(p-tolyl)piperazino]methanethione Formula: C27H25ClN4S MolecularWeight: 473.0322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)C(=S)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)C(=S)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H25ClN4S/c1-20-7-13-23(14-8-20)30-15-17-31(18-16-30)27(33)25-19-32(24-5-3-2-4-6-24)29-26(25)21-9-11-22(28)12-10-21/h2-14,19H,15-18H2,1H3