N-[2-cyano-5-(4-ethyl-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)-4-fluoranyl-phenyl]ethanesulfonamide

Systemtic Name: N-[2-cyano-5-(4-ethyl-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)-4-fluoranyl-phenyl]ethanesulfonamide Openeye Name: N-[2-cyano-5-(4-ethyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-4-fluoro-phenyl]ethanesulfonamide CAS Name: N-[2-cyano-5-(4-ethyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-4-fluorophenyl]ethanesulfonamide IUPAC Name: N-[2-cyano-5-(4-ethyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-4-fluorophenyl]ethanesulfonamide Traditional Name: N-[2-cyano-5-(4-ethyl-5-keto-3-methyl-1,2,4-triazol-1-yl)-4-fluoro-phenyl]ethanesulfonamide Formula: C14H16FN5O3S MolecularWeight: 353.371943

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=O)C2=C(C=C(C(=C2)NS(=O)(=O)CC)C#N)F)C

Isomeric SMILES

CCN1C(=NN(C1=O)C2=C(C=C(C(=C2)NS(=O)(=O)CC)C#N)F)C

InChI

InChI=1S/C14H16FN5O3S/c1-4-19-9(3)17-20(14(19)21)13-7-12(18-24(22,23)5-2)10(8-16)6-11(13)15/h6-7,18H,4-5H2,1-3H3