ethyl 2-[4-(6-oxidanylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(6-oxidanylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[4-(6-keto-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]thio]acetic acid ethyl ester Formula: C15H13F3N2O3S MolecularWeight: 358.33553

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C2=NNC(=O)C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C2=NNC(=O)C=C2)C(F)(F)F

InChI

InChI=1S/C15H13F3N2O3S/c1-2-23-14(22)8-24-12-5-3-9(7-10(12)15(16,17)18)11-4-6-13(21)20-19-11/h3-7H,2,8H2,1H3,(H,20,21)