5-(4-methoxyphenyl)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-methoxyphenyl)-2-[[4-(4-pyridyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-[(4-pyridin-4-yl-1-piperazinyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-2-[[4-(4-pyridyl)piperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C19H22N6OS MolecularWeight: 382.48258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C19H22N6OS/c1-26-17-4-2-15(3-5-17)18-21-19(27)25(22-18)14-23-10-12-24(13-11-23)16-6-8-20-9-7-16/h2-9H,10-14H2,1H3,(H,21,22,27)