4-(2,6-diethylphenyl)-5-pyridin-3-yl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(2,6-diethylphenyl)-5-pyridin-3-yl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2,6-diethylphenyl)-5-(3-pyridyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2,6-diethylphenyl)-5-(3-pyridinyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2,6-diethylphenyl)-5-pyridin-3-yl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(2,6-diethylphenyl)-5-(3-pyridyl)-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C26H30N8S MolecularWeight: 486.635

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC=N4)C5=CN=CC=C5

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC=N4)C5=CN=CC=C5

InChI

InChI=1S/C26H30N8S/c1-3-20-8-5-9-21(4-2)23(20)34-24(22-10-6-11-27-18-22)30-33(26(34)35)19-31-14-16-32(17-15-31)25-28-12-7-13-29-25/h5-13,18H,3-4,14-17,19H2,1-2H3