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

Systemtic Name: N-[2-[4-[[3-butyl-1-(2-chloranyl-5-nitro-phenyl)-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]phenyl]-4-ethyl-phenyl]sulfonyl-2-chloranyl-benzamide Openeye Name: N-[2-[4-[[3-butyl-1-(2-chloro-5-nitro-phenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]-4-ethyl-phenyl]sulfonyl-2-chloro-benzamide CAS Name: N-[2-[4-[[3-butyl-1-(2-chloro-5-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]-4-ethylphenyl]sulfonyl-2-chlorobenzamide IUPAC Name: N-[2-[4-[[3-butyl-1-(2-chloro-5-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]-4-ethylphenyl]sulfonyl-2-chlorobenzamide Traditional Name: N-[2-[4-[[3-butyl-1-(2-chloro-5-nitro-phenyl)-5-keto-1,2,4-triazol-4-yl]methyl]phenyl]-4-ethyl-phenyl]sulfonyl-2-chloro-benzamide Formula: C34H31Cl2N5O6S MolecularWeight: 708.61084

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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)NC(=O)C4=CC=CC=C4Cl)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=C(C=CC(=C3)CC)S(=O)(=O)NC(=O)C4=CC=CC=C4Cl)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C34H31Cl2N5O6S/c1-3-5-10-32-37-40(30-20-25(41(44)45)16-17-29(30)36)34(43)39(32)21-23-11-14-24(15-12-23)27-19-22(4-2)13-18-31(27)48(46,47)38-33(42)26-8-6-7-9-28(26)35/h6-9,11-20H,3-5,10,21H2,1-2H3,(H,38,42)