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

Systemtic Name: 5-(3-methoxyphenyl)-4-phenyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(3-methoxyphenyl)-4-phenyl-2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(3-methoxyphenyl)-4-phenyl-2-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(3-methoxyphenyl)-4-phenyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(3-methoxyphenyl)-4-phenyl-2-[[4-(4-pyridylmethyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C26H28N6OS MolecularWeight: 472.60512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)CC5=CC=NC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)CC5=CC=NC=C5

InChI

InChI=1S/C26H28N6OS/c1-33-24-9-5-6-22(18-24)25-28-31(26(34)32(25)23-7-3-2-4-8-23)20-30-16-14-29(15-17-30)19-21-10-12-27-13-11-21/h2-13,18H,14-17,19-20H2,1H3