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

Systemtic Name: 5-cyclopropyl-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-methyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-methyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C15H22N7S+ MolecularWeight: 332.44708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)C4CC4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)C4CC4

InChI

InChI=1S/C15H21N7S/c1-19-13(12-3-4-12)18-22(15(19)23)11-20-7-9-21(10-8-20)14-16-5-2-6-17-14/h2,5-6,12H,3-4,7-11H2,1H3/p+1