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

Systemtic Name: 2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C20H22N6O5S2 MolecularWeight: 490.55588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O5S2/c1-31-19-8-7-17(13-18(19)26(27)28)33(29,30)23-11-9-22(10-12-23)15-25-20(32)24(14-21-25)16-5-3-2-4-6-16/h2-8,13-14H,9-12,15H2,1H3