4-[5-ethanoyl-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]benzenecarbonitrile

Systemtic Name: 4-[5-ethanoyl-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]benzenecarbonitrile Openeye Name: 4-[5-acetyl-4-methyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]benzonitrile CAS Name: 4-[5-acetyl-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]benzonitrile IUPAC Name: 4-[5-acetyl-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]benzonitrile Traditional Name: 4-[5-acetyl-4-methyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]benzonitrile Formula: C21H16F3N3OS MolecularWeight: 415.43145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)C#N)C(=O)C

InChI

InChI=1S/C21H16F3N3OS/c1-12-18(13(2)28)19(15-8-6-14(11-25)7-9-15)26-20(29)27(12)17-5-3-4-16(10-17)21(22,23)24/h3-10,19H,1-2H3,(H,26,29)