S-ethyl 5-cyano-6-methyl-2-oxidanylidene-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carbothioate

Systemtic Name: S-ethyl 5-cyano-6-methyl-2-oxidanylidene-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carbothioate Openeye Name: S-ethyl 5-cyano-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carbothioate CAS Name: 5-cyano-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carbothioic acid S-ethyl ester IUPAC Name: S-ethyl 5-cyano-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carbothioate Traditional Name: 5-cyano-2-keto-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carbothioic acid S-ethyl ester Formula: C16H14F3N3O2S MolecularWeight: 369.36147

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCSC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H14F3N3O2S/c1-3-25-15(24)22-13(12(8-20)9(2)21-14(22)23)10-5-4-6-11(7-10)16(17,18)19/h4-7,13H,3H2,1-2H3,(H,21,23)