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

Systemtic Name: 1-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4=CC=CC=C4)C5CC5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4=CC=CC=C4)C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S2/c28-27(29)19-15-18(33(30,31)25-13-5-2-6-14-25)11-12-20(19)32-22-24-23-21(16-9-10-16)26(22)17-7-3-1-4-8-17/h1,3-4,7-8,11-12,15-16H,2,5-6,9-10,13-14H2