ethyl 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate Traditional Name: 3-keto-4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C10H12F3N3O3S MolecularWeight: 311.28079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NN=C(N1C)C(F)(F)F

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NN=C(N1C)C(F)(F)F

InChI

InChI=1S/C10H12F3N3O3S/c1-3-19-7(18)4-6(17)5-20-9-15-14-8(16(9)2)10(11,12)13/h3-5H2,1-2H3