2-[6-cyano-4-fluoranyl-4-methyl-3-[3-oxidanylidene-5-(trifluoromethyl)-1H-1,2,4-triazol-2-yl]cyclohexa-1,5-dien-1-yl]ethanesulfonamide

Systemtic Name: 2-[6-cyano-4-fluoranyl-4-methyl-3-[3-oxidanylidene-5-(trifluoromethyl)-1H-1,2,4-triazol-2-yl]cyclohexa-1,5-dien-1-yl]ethanesulfonamide Openeye Name: 2-[6-cyano-4-fluoro-4-methyl-3-[3-oxo-5-(trifluoromethyl)-1H-1,2,4-triazol-2-yl]cyclohexa-1,5-dien-1-yl]ethanesulfonamide CAS Name: 2-[6-cyano-4-fluoro-4-methyl-3-[3-oxo-5-(trifluoromethyl)-1H-1,2,4-triazol-2-yl]-1-cyclohexa-1,5-dienyl]ethanesulfonamide IUPAC Name: 2-[6-cyano-4-fluoro-4-methyl-3-[3-oxo-5-(trifluoromethyl)-1H-1,2,4-triazol-2-yl]cyclohexa-1,5-dien-1-yl]ethanesulfonamide Traditional Name: 2-[6-cyano-4-fluoro-3-[3-keto-5-(trifluoromethyl)-1H-1,2,4-triazol-2-yl]-4-methyl-cyclohexa-1,5-dien-1-yl]ethanesulfonamide Formula: C13H13F4N5O3S MolecularWeight: 395.332633

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(=CC1N2C(=O)N=C(N2)C(F)(F)F)CCS(=O)(=O)N)C#N)F

Isomeric SMILES

CC1(C=C(C(=CC1N2C(=O)N=C(N2)C(F)(F)F)CCS(=O)(=O)N)C#N)F

InChI

InChI=1S/C13H13F4N5O3S/c1-12(14)5-8(6-18)7(2-3-26(19,24)25)4-9(12)22-11(23)20-10(21-22)13(15,16)17/h4-5,9H,2-3H2,1H3,(H2,19,24,25)(H,20,21,23)