phenyl 3-(2-fluoranylethylsulfanyl)-4-methyl-5-oxidanylidene-1,2,4-triazole-1-carboxylate

Systemtic Name: phenyl 3-(2-fluoranylethylsulfanyl)-4-methyl-5-oxidanylidene-1,2,4-triazole-1-carboxylate Openeye Name: phenyl 3-(2-fluoroethylsulfanyl)-4-methyl-5-oxo-1,2,4-triazole-1-carboxylate CAS Name: 3-(2-fluoroethylthio)-4-methyl-5-oxo-1,2,4-triazole-1-carboxylic acid phenyl ester IUPAC Name: phenyl 3-(2-fluoroethylsulfanyl)-4-methyl-5-oxo-1,2,4-triazole-1-carboxylate Traditional Name: 3-(2-fluoroethylthio)-5-keto-4-methyl-1,2,4-triazole-1-carboxylic acid phenyl ester Formula: C12H12FN3O3S MolecularWeight: 297.305383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C(=O)OC2=CC=CC=C2)SCCF

Isomeric SMILES

CN1C(=NN(C1=O)C(=O)OC2=CC=CC=C2)SCCF

InChI

InChI=1S/C12H12FN3O3S/c1-15-10(20-8-7-13)14-16(11(15)17)12(18)19-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3