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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC(=C3)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC(=C3)C)C4=CC=NC=C4

InChI

InChI=1S/C22H28N6S/c1-3-11-27-21(19-7-9-23-10-8-19)24-28(22(27)29)17-25-12-14-26(15-13-25)20-6-4-5-18(2)16-20/h4-10,16H,3,11-15,17H2,1-2H3