4-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 4-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 4-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 4-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 4-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C15H10F3N5O4S MolecularWeight: 413.33121

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3

InChI

InChI=1S/C15H10F3N5O4S/c16-15(17,18)10-1-6-14(22-9-19-8-20-22)13(7-10)21-28(26,27)12-4-2-11(3-5-12)23(24)25/h1-9,21H