1-[5-cyano-2-methyl-6-sulfanyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridin-3-ylidene]ethanolate

Systemtic Name: 1-[5-cyano-2-methyl-6-sulfanyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridin-3-ylidene]ethanolate Openeye Name: 1-[5-cyano-2-methyl-6-sulfanyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridin-3-ylidene]ethanolate CAS Name: 1-[5-cyano-6-mercapto-2-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridin-3-ylidene]ethanolate IUPAC Name: 1-[5-cyano-2-methyl-6-sulfanyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridin-3-ylidene]ethanolate Traditional Name: 1-[5-cyano-6-mercapto-2-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridin-3-ylidene]ethanolate Formula: C16H12F3N2OS- MolecularWeight: 337.33949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C(C)[O-])C2=CC=CC=C2C(F)(F)F)C#N)S

Isomeric SMILES

CC1=NC(=C(C(C1=C(C)[O-])C2=CC=CC=C2C(F)(F)F)C#N)S

InChI

InChI=1S/C16H13F3N2OS/c1-8-13(9(2)22)14(11(7-20)15(23)21-8)10-5-3-4-6-12(10)16(17,18)19/h3-6,14,22-23H,1-2H3/p-1