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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN(C2=S)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN(C2=S)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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