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

Systemtic Name: 2-[4-[[3-butyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide Openeye Name: 2-[4-[[3-butyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide CAS Name: 2-[4-[[3-butyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide IUPAC Name: 2-[4-[[3-butyl-1-[4-nitro-2-(trifluoromethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide Traditional Name: 2-[4-[[3-butyl-5-keto-1-[4-nitro-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide Formula: C26H24F3N5O5S MolecularWeight: 575.55947

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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)N)C4=C(C=C(C=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)N)C4=C(C=C(C=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C26H24F3N5O5S/c1-2-3-8-24-31-33(22-14-13-19(34(36)37)15-21(22)26(27,28)29)25(35)32(24)16-17-9-11-18(12-10-17)20-6-4-5-7-23(20)40(30,38)39/h4-7,9-15H,2-3,8,16H2,1H3,(H2,30,38,39)