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

Systemtic Name: 4-cyclohexyl-5-(4-methoxyphenyl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclohexyl-5-(4-methoxyphenyl)-2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclohexyl-5-(4-methoxyphenyl)-2-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclohexyl-5-(4-methoxyphenyl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclohexyl-5-(4-methoxyphenyl)-2-[[4-(4-pyridylmethyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C26H34N6OS MolecularWeight: 478.65276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3CCCCC3)CN4CCN(CC4)CC5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3CCCCC3)CN4CCN(CC4)CC5=CC=NC=C5

InChI

InChI=1S/C26H34N6OS/c1-33-24-9-7-22(8-10-24)25-28-31(26(34)32(25)23-5-3-2-4-6-23)20-30-17-15-29(16-18-30)19-21-11-13-27-14-12-21/h7-14,23H,2-6,15-20H2,1H3