5-phenyl-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-phenyl-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-phenyl-2-[[4-(4-pyridyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-[(4-pyridin-4-yl-1-piperazinyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-phenyl-2-[[4-(4-pyridyl)piperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C18H20N6S MolecularWeight: 352.4566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C18H20N6S/c25-18-20-17(15-4-2-1-3-5-15)21-24(18)14-22-10-12-23(13-11-22)16-6-8-19-9-7-16/h1-9H,10-14H2,(H,20,21,25)