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

Systemtic Name: 5-cyano-6-methyl-2-oxidanylidene-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carbothioic S-acid Openeye Name: 5-cyano-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carbothioic S-acid CAS Name: 5-cyano-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carbothioic S-acid IUPAC Name: 5-cyano-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carbothioic S-acid Traditional Name: 5-cyano-2-keto-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carbothioic S-acid Formula: C14H10F3N3O2S MolecularWeight: 341.30831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)S)C2=CC(=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)S)C2=CC(=CC=C2)C(F)(F)F)C#N

InChI

InChI=1S/C14H10F3N3O2S/c1-7-10(6-18)11(20(13(22)23)12(21)19-7)8-3-2-4-9(5-8)14(15,16)17/h2-5,11H,1H3,(H,19,21)(H,22,23)