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

Systemtic Name: 4-(2-methylpropyl)-5-morpholin-4-yl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-isobutyl-5-morpholino-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-methylpropyl)-5-(4-morpholinyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methylpropyl)-5-morpholin-4-yl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-isobutyl-5-morpholino-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C19H31N8OS+ MolecularWeight: 419.56744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)N4CCOCC4

Isomeric SMILES

CC(C)CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)N4CCOCC4

InChI

InChI=1S/C19H30N8OS/c1-16(2)14-26-18(25-10-12-28-13-11-25)22-27(19(26)29)15-23-6-8-24(9-7-23)17-20-4-3-5-21-17/h3-5,16H,6-15H2,1-2H3/p+1