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

Systemtic Name: 4-prop-2-enyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-prop-2-enyl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-prop-2-enyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C14H19N7S MolecularWeight: 317.41256

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN(C1=S)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C=CCN1C=NN(C1=S)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C14H19N7S/c1-2-6-20-11-17-21(14(20)22)12-18-7-9-19(10-8-18)13-15-4-3-5-16-13/h2-5,11H,1,6-10,12H2