1-methyl-4-[3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonyl-piperazine CAS Name: 1-methyl-4-[3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)thio]phenyl]sulfonylpiperazine IUPAC Name: 1-methyl-4-[3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylpiperazine Traditional Name: 1-methyl-4-[3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)thio]phenyl]sulfonyl-piperazine Formula: C19H20N6O4S2 MolecularWeight: 460.5299

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN(C=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN(C=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O4S2/c1-22-9-11-23(12-10-22)31(28,29)16-7-8-18(17(13-16)25(26)27)30-19-20-14-24(21-19)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3