4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-3-nitro-N-phenyl-benzenesulfonamide Formula: C16H12F3N5O4S2 MolecularWeight: 459.42279

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H12F3N5O4S2/c1-23-14(16(17,18)19)20-21-15(23)29-13-8-7-11(9-12(13)24(25)26)30(27,28)22-10-5-3-2-4-6-10/h2-9,22H,1H3