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

Systemtic Name: 2-[4-[[1-(5-azanyl-2-chloranyl-phenyl)-3-butyl-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]-N-tert-butyl-4-propyl-benzenesulfonamide Openeye Name: 2-[4-[[1-(5-amino-2-chloro-phenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]-N-tert-butyl-4-propyl-benzenesulfonamide CAS Name: 2-[4-[[1-(5-amino-2-chlorophenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]-N-tert-butyl-4-propylbenzenesulfonamide IUPAC Name: 2-[4-[[1-(5-amino-2-chlorophenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]-N-tert-butyl-4-propylbenzenesulfonamide Traditional Name: 2-[4-[[1-(5-amino-2-chloro-phenyl)-3-butyl-5-keto-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]-N-tert-butyl-4-propyl-benzenesulfonamide Formula: C32H39ClFN5O3S MolecularWeight: 628.200163

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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)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)Cl

InChI

InChI=1S/C32H39ClFN5O3S/c1-6-8-10-30-36-39(28-19-24(35)14-15-26(28)33)31(40)38(30)20-23-13-12-22(18-27(23)34)25-17-21(9-7-2)11-16-29(25)43(41,42)37-32(3,4)5/h11-19,37H,6-10,20,35H2,1-5H3