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

Systemtic Name: 2-[4-[[3-butyl-1-(2-chloranyl-5-nitro-phenyl)-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]phenyl]-4-ethyl-benzenesulfonamide Openeye Name: 2-[4-[[3-butyl-1-(2-chloro-5-nitro-phenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]-4-ethyl-benzenesulfonamide CAS Name: 2-[4-[[3-butyl-1-(2-chloro-5-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]-4-ethylbenzenesulfonamide IUPAC Name: 2-[4-[[3-butyl-1-(2-chloro-5-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]-4-ethylbenzenesulfonamide Traditional Name: 2-[4-[[3-butyl-1-(2-chloro-5-nitro-phenyl)-5-keto-1,2,4-triazol-4-yl]methyl]phenyl]-4-ethyl-benzenesulfonamide Formula: C27H28ClN5O5S MolecularWeight: 570.05972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN5O5S/c1-3-5-6-26-30-32(24-16-21(33(35)36)12-13-23(24)28)27(34)31(26)17-19-7-10-20(11-8-19)22-15-18(4-2)9-14-25(22)39(29,37)38/h7-16H,3-6,17H2,1-2H3,(H2,29,37,38)