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

Systemtic Name: 4-methyl-1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonyl-piperidine Openeye Name: 4-methyl-1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonyl-piperidine CAS Name: 4-methyl-1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]phenyl]sulfonylpiperidine IUPAC Name: 4-methyl-1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylpiperidine Traditional Name: 4-methyl-1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]phenyl]sulfonyl-piperidine Formula: C17H23N5O4S2 MolecularWeight: 425.52562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O4S2/c1-3-4-16-18-17(20-19-16)27-15-6-5-13(11-14(15)22(23)24)28(25,26)21-9-7-12(2)8-10-21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,19,20)