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

Systemtic Name: 5-(3-methoxyphenyl)-4-methyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(3-methoxyphenyl)-4-methyl-2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(3-methoxyphenyl)-4-methyl-2-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(3-methoxyphenyl)-4-methyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(3-methoxyphenyl)-4-methyl-2-[[4-(4-pyridylmethyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC=NC=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC=NC=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H26N6OS/c1-24-20(18-4-3-5-19(14-18)28-2)23-27(21(24)29)16-26-12-10-25(11-13-26)15-17-6-8-22-9-7-17/h3-9,14H,10-13,15-16H2,1-2H3