4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2-isopropylphenyl)-5-(3-pyridyl)-2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-2-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-o-cumenyl-5-(3-pyridyl)-2-[[4-(4-pyridylmethyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C27H31N7S MolecularWeight: 485.64694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)CC4=CC=NC=C4)C5=CN=CC=C5

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)CC4=CC=NC=C4)C5=CN=CC=C5

InChI

InChI=1S/C27H31N7S/c1-21(2)24-7-3-4-8-25(24)34-26(23-6-5-11-29-18-23)30-33(27(34)35)20-32-16-14-31(15-17-32)19-22-9-12-28-13-10-22/h3-13,18,21H,14-17,19-20H2,1-2H3