1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine

Systemtic Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C19H23N5O4S2 MolecularWeight: 449.54702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4CC4)C5CC5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4CC4)C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O4S2/c25-24(26)16-12-15(30(27,28)22-10-2-1-3-11-22)8-9-17(16)29-19-21-20-18(13-4-5-13)23(19)14-6-7-14/h8-9,12-14H,1-7,10-11H2