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

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

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

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