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

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H28N6S MolecularWeight: 408.56292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC(=C3C)C)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC(=C3C)C)C4=CC=NC=C4

InChI

InChI=1S/C22H28N6S/c1-4-27-21(19-8-10-23-11-9-19)24-28(22(27)29)16-25-12-14-26(15-13-25)20-7-5-6-17(2)18(20)3/h5-11H,4,12-16H2,1-3H3