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

Systemtic Name: 4-propan-2-yl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-isopropyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-propan-2-yl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-propan-2-yl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-isopropyl-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C14H21N7S MolecularWeight: 319.42844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)N1C=NN(C1=S)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C14H21N7S/c1-12(2)20-10-17-21(14(20)22)11-18-6-8-19(9-7-18)13-15-4-3-5-16-13/h3-5,10,12H,6-9,11H2,1-2H3