2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-nitrophenyl)piperazino]methyl]-1-phenyl-1,2,4-triazole-3-thione Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N=CN2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C(=S)N=CN2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O2S/c26-25(27)18-8-6-16(7-9-18)22-12-10-21(11-13-22)15-24-19(28)20-14-23(24)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2