4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-5-(trifluoromethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-5-(trifluoromethyl)-1,2,4-triazole-3-thione Formula: C13H17F3N7S+ MolecularWeight: 360.38119

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)C(F)(F)F

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)C(F)(F)F

InChI

InChI=1S/C13H16F3N7S/c1-20-10(13(14,15)16)19-23(12(20)24)9-21-5-7-22(8-6-21)11-17-3-2-4-18-11/h2-4H,5-9H2,1H3/p+1