ethyl (2E)-3-oxidanylidene-2-(phenylhydrazinylidene)-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-butanoate

Systemtic Name: ethyl (2E)-3-oxidanylidene-2-(phenylhydrazinylidene)-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-butanoate Openeye Name: ethyl (2E)-3-oxo-2-(phenylhydrazono)-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]butanoate CAS Name: (2E)-3-oxo-2-(phenylhydrazinylidene)-4-[[5-(trifluoromethyl)-2-pyridinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl (2E)-3-oxo-2-(phenylhydrazinylidene)-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate Traditional Name: (2E)-3-keto-2-(phenylhydrazono)-4-[[5-(trifluoromethyl)-2-pyridyl]thio]butyric acid ethyl ester Formula: C18H16F3N3O3S MolecularWeight: 411.39815

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NNC1=CC=CC=C1)C(=O)CSC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)/C(=N/NC1=CC=CC=C1)/C(=O)CSC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O3S/c1-2-27-17(26)16(24-23-13-6-4-3-5-7-13)14(25)11-28-15-9-8-12(10-22-15)18(19,20)21/h3-10,23H,2,11H2,1H3/b24-16+