1-[3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylpiperidine

Systemtic Name: 1-[3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylpiperidine Openeye Name: 1-[3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylpiperidine CAS Name: 1-[3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)thio]phenyl]sulfonylpiperidine IUPAC Name: 1-[3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylpiperidine Traditional Name: 1-[3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)thio]phenyl]sulfonylpiperidine Formula: C19H19N5O4S2 MolecularWeight: 445.51526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN(C=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN(C=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4S2/c25-24(26)17-13-16(30(27,28)22-11-5-2-6-12-22)9-10-18(17)29-19-20-14-23(21-19)15-7-3-1-4-8-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2