N-(4-methylphenyl)-4-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(4-methylphenyl)-4-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide Openeye Name: 4-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-N-(p-tolyl)piperazine-1-carbothioamide CAS Name: N-(4-methylphenyl)-4-[4-(1-methyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-methylphenyl)-4-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide Traditional Name: 4-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-N-(p-tolyl)piperazine-1-carbothioamide Formula: C21H22F3N7S MolecularWeight: 461.50649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC(=CC(=N3)C(F)(F)F)C4=CN(N=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC(=CC(=N3)C(F)(F)F)C4=CN(N=C4)C

InChI

InChI=1S/C21H22F3N7S/c1-14-3-5-16(6-4-14)26-20(32)31-9-7-30(8-10-31)19-27-17(15-12-25-29(2)13-15)11-18(28-19)21(22,23)24/h3-6,11-13H,7-10H2,1-2H3,(H,26,32)