N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-[(2-chloro-4-fluoro-phenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(2-chloro-4-fluoro-benzyl)-1,2,4-triazol-3-yl]-4-nitro-benzenesulfonamide Formula: C15H11ClFN5O4S MolecularWeight: 411.795343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=NN(C=N2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=NN(C=N2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C15H11ClFN5O4S/c16-14-7-11(17)2-1-10(14)8-21-9-18-15(19-21)20-27(25,26)13-5-3-12(4-6-13)22(23)24/h1-7,9H,8H2,(H,19,20)