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

Systemtic Name: 1-[4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine Openeye Name: 1-[4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine CAS Name: 1-[4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonyl-4-methylpiperidine IUPAC Name: 1-[4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonyl-4-methylpiperidine Traditional Name: 1-[4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine Formula: C18H25N5O4S2 MolecularWeight: 439.5522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4S2/c1-12-7-9-22(10-8-12)29(26,27)13-5-6-15(14(11-13)23(24)25)28-17-19-16(20-21-17)18(2,3)4/h5-6,11-12H,7-10H2,1-4H3,(H,19,20,21)