tert-butyl N-[2-[4-[[3-butyl-1-[5-nitro-2-(trifluoromethyl)phenyl]-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcarbamate

Systemtic Name: tert-butyl N-[2-[4-[[3-butyl-1-[5-nitro-2-(trifluoromethyl)phenyl]-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcarbamate Openeye Name: tert-butyl N-[2-[4-[[3-butyl-1-[5-nitro-2-(trifluoromethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcarbamate CAS Name: N-[2-[4-[[3-butyl-1-[5-nitro-2-(trifluoromethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-[[3-butyl-1-[5-nitro-2-(trifluoromethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcarbamate Traditional Name: N-[2-[4-[[3-butyl-5-keto-1-[5-nitro-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcarbamic acid tert-butyl ester Formula: C31H32F3N5O7S MolecularWeight: 675.67529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OC(C)(C)C)C4=C(C=CC(=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OC(C)(C)C)C4=C(C=CC(=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C31H32F3N5O7S/c1-5-6-11-27-35-38(25-18-22(39(42)43)16-17-24(25)31(32,33)34)29(41)37(27)19-20-12-14-21(15-13-20)23-9-7-8-10-26(23)47(44,45)36-28(40)46-30(2,3)4/h7-10,12-18H,5-6,11,19H2,1-4H3,(H,36,40)