N-[2-chloranyl-5-(1,2-dimethyl-3-oxidanylidene-5-sulfanylidene-1,2,4-triazolidin-4-yl)-4-fluoranyl-phenyl]-N-ethylsulfonyl-ethanesulfonamide

Systemtic Name: N-[2-chloranyl-5-(1,2-dimethyl-3-oxidanylidene-5-sulfanylidene-1,2,4-triazolidin-4-yl)-4-fluoranyl-phenyl]-N-ethylsulfonyl-ethanesulfonamide Openeye Name: N-[2-chloro-5-(1,2-dimethyl-3-oxo-5-thioxo-1,2,4-triazolidin-4-yl)-4-fluoro-phenyl]-N-ethylsulfonyl-ethanesulfonamide CAS Name: N-[2-chloro-5-(1,2-dimethyl-3-oxo-5-sulfanylidene-1,2,4-triazolidin-4-yl)-4-fluorophenyl]-N-ethylsulfonylethanesulfonamide IUPAC Name: N-[2-chloro-5-(1,2-dimethyl-3-oxo-5-sulfanylidene-1,2,4-triazolidin-4-yl)-4-fluorophenyl]-N-ethylsulfonylethanesulfonamide Traditional Name: N-[2-chloro-4-fluoro-5-(3-keto-1,2-dimethyl-5-thioxo-1,2,4-triazolidin-4-yl)phenyl]-N-esyl-ethanesulfonamide Formula: C14H18ClFN4O5S3 MolecularWeight: 472.962923

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(C1=C(C=C(C(=C1)N2C(=O)N(N(C2=S)C)C)F)Cl)S(=O)(=O)CC

Isomeric SMILES

CCS(=O)(=O)N(C1=C(C=C(C(=C1)N2C(=O)N(N(C2=S)C)C)F)Cl)S(=O)(=O)CC

InChI

InChI=1S/C14H18ClFN4O5S3/c1-5-27(22,23)20(28(24,25)6-2)11-8-12(10(16)7-9(11)15)19-13(21)17(3)18(4)14(19)26/h7-8H,5-6H2,1-4H3