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

Systemtic Name: N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(4-fluorobenzyl)-1,2,4-triazol-3-yl]-4-nitro-benzenesulfonamide Formula: C15H12FN5O4S MolecularWeight: 377.350283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C15H12FN5O4S/c16-12-3-1-11(2-4-12)9-20-10-17-15(18-20)19-26(24,25)14-7-5-13(6-8-14)21(22)23/h1-8,10H,9H2,(H,18,19)