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

Systemtic Name: 2-[4-[[3-butyl-1-(3-nitrophenyl)-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide Openeye Name: 2-[4-[[3-butyl-1-(3-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide CAS Name: 2-[4-[[3-butyl-1-(3-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide IUPAC Name: 2-[4-[[3-butyl-1-(3-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide Traditional Name: 2-[4-[[3-butyl-5-keto-1-(3-nitrophenyl)-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide Formula: C25H25N5O5S MolecularWeight: 507.5615

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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=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O5S/c1-2-3-11-24-27-29(20-7-6-8-21(16-20)30(32)33)25(31)28(24)17-18-12-14-19(15-13-18)22-9-4-5-10-23(22)36(26,34)35/h4-10,12-16H,2-3,11,17H2,1H3,(H2,26,34,35)