1-ethyl-6,8-bis(fluoranyl)-7-methylsulfanyl-4-oxidanylidene-cinnoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-methylsulfanyl-4-oxidanylidene-cinnoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-7-methylsulfanyl-4-oxo-cinnoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-7-(methylthio)-4-oxo-3-cinnolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-methylsulfanyl-4-oxocinnoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(methylthio)cinnoline-3-carboxylic acid Formula: C12H10F2N2O3S MolecularWeight: 300.281206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C=C2C(=O)C(=N1)C(=O)O)F)SC)F

Isomeric SMILES

CCN1C2=C(C(=C(C=C2C(=O)C(=N1)C(=O)O)F)SC)F

InChI

InChI=1S/C12H10F2N2O3S/c1-3-16-9-5(10(17)8(15-16)12(18)19)4-6(13)11(20-2)7(9)14/h4H,3H2,1-2H3,(H,18,19)