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

Systemtic Name: 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-nitrophenyl)sulfonylpiperazino]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C19H20N6O4S2 MolecularWeight: 460.5299

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N(C=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C(=S)N(C=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O4S2/c26-25(27)17-8-4-5-9-18(17)31(28,29)22-12-10-21(11-13-22)15-24-19(30)23(14-20-24)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2