N-tert-butyl-2-[4-[[3-butyl-1-(2-chloranyl-5-nitro-phenyl)-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]-4-propyl-benzenesulfonamide

Systemtic Name: N-tert-butyl-2-[4-[[3-butyl-1-(2-chloranyl-5-nitro-phenyl)-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]-4-propyl-benzenesulfonamide Openeye Name: N-tert-butyl-2-[4-[[3-butyl-1-(2-chloro-5-nitro-phenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]-4-propyl-benzenesulfonamide CAS Name: N-tert-butyl-2-[4-[[3-butyl-1-(2-chloro-5-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]-4-propylbenzenesulfonamide IUPAC Name: N-tert-butyl-2-[4-[[3-butyl-1-(2-chloro-5-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]-4-propylbenzenesulfonamide Traditional Name: N-tert-butyl-2-[4-[[3-butyl-1-(2-chloro-5-nitro-phenyl)-5-keto-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]-4-propyl-benzenesulfonamide Formula: C32H37ClFN5O5S MolecularWeight: 658.183083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=C(C=CC(=C3)CCC)S(=O)(=O)NC(C)(C)C)F)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=C(C=CC(=C3)CCC)S(=O)(=O)NC(C)(C)C)F)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C32H37ClFN5O5S/c1-6-8-10-30-35-38(28-19-24(39(41)42)14-15-26(28)33)31(40)37(30)20-23-13-12-22(18-27(23)34)25-17-21(9-7-2)11-16-29(25)45(43,44)36-32(3,4)5/h11-19,36H,6-10,20H2,1-5H3