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

Systemtic Name: 5-(furan-2-yl)-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-2-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-2-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C19H22N6O6S2 MolecularWeight: 494.54458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C19H22N6O6S2/c1-21-18(17-4-3-11-31-17)20-24(19(21)32)13-22-7-9-23(10-8-22)33(28,29)14-5-6-16(30-2)15(12-14)25(26)27/h3-6,11-12H,7-10,13H2,1-2H3