N-[3-[bis(fluoranyl)methyl]-5-ethylsulfanyl-1,2,4-triazol-4-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-[bis(fluoranyl)methyl]-5-ethylsulfanyl-1,2,4-triazol-4-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4-triazol-4-yl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4-triazol-4-yl]-3-nitro-benzenesulfonamide Formula: C11H11F2N5O4S2 MolecularWeight: 379.362946

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(F)F

Isomeric SMILES

CCSC1=NN=C(N1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(F)F

InChI

InChI=1S/C11H11F2N5O4S2/c1-2-23-11-15-14-10(9(12)13)17(11)16-24(21,22)8-5-3-4-7(6-8)18(19)20/h3-6,9,16H,2H2,1H3