N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(2-chloro-6-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(=C(C(=C1)Cl)CN2C=NC(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN2C=NC(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])F

InChI

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