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

Systemtic Name: 1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylpiperidine Openeye Name: 1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylpiperidine CAS Name: 1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]phenyl]sulfonylpiperidine IUPAC Name: 1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylpiperidine Traditional Name: 1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]phenyl]sulfonylpiperidine Formula: C16H21N5O4S2 MolecularWeight: 411.49904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O4S2/c1-2-6-15-17-16(19-18-15)26-14-8-7-12(11-13(14)21(22)23)27(24,25)20-9-4-3-5-10-20/h7-8,11H,2-6,9-10H2,1H3,(H,17,18,19)