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

Systemtic Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(3-chlorobenzyl)piperazino]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H23ClN6S MolecularWeight: 414.95482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN6S/c1-24-19(17-5-7-22-8-6-17)23-27(20(24)28)15-26-11-9-25(10-12-26)14-16-3-2-4-18(21)13-16/h2-8,13H,9-12,14-15H2,1H3