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

Systemtic Name: 4-[(6S)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]-3-methylsulfonyl-benzenecarbonitrile Openeye Name: 4-[(6S)-5-acetyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]-3-methylsulfonyl-benzonitrile CAS Name: 4-[(6S)-5-acetyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]-3-methylsulfonylbenzonitrile IUPAC Name: 4-[(6S)-5-acetyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]-3-methylsulfonylbenzonitrile Traditional Name: 4-[(6S)-5-acetyl-2-keto-4-methyl-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]-3-mesyl-benzonitrile Formula: C22H18F3N3O4S MolecularWeight: 477.45623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([C@H](NC(=O)N1C2=CC=CC(=C2)C(F)(F)F)C3=C(C=C(C=C3)C#N)S(=O)(=O)C)C(=O)C

InChI

InChI=1S/C22H18F3N3O4S/c1-12-19(13(2)29)20(17-8-7-14(11-26)9-18(17)33(3,31)32)27-21(30)28(12)16-6-4-5-15(10-16)22(23,24)25/h4-10,20H,1-3H3,(H,27,30)/t20-/m1/s1