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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C20H23ClN6S/c1-2-26-19(16-6-8-22-9-7-16)23-27(20(26)28)15-24-10-12-25(13-11-24)18-5-3-4-17(21)14-18/h3-9,14H,2,10-13,15H2,1H3