N-[(1S)-1-cyclopropylethyl]-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl]sulfanyl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide

Systemtic Name: N-[(1S)-1-cyclopropylethyl]-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl]sulfanyl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide Openeye Name: N-[(1S)-1-cyclopropylethyl]-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide CAS Name: N-[(1S)-1-cyclopropylethyl]-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]thio]-N-(2,2,2-trifluoroethyl)acetamide IUPAC Name: N-[(1S)-1-cyclopropylethyl]-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide Traditional Name: N-[(1S)-1-cyclopropylethyl]-2-[[(3R)-3,5-dicyano-2-keto-4,4-dimethyl-1,3-dihydropyridin-6-yl]thio]-N-(2,2,2-trifluoroethyl)acetamide Formula: C18H21F3N4O2S MolecularWeight: 414.44515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC(F)(F)F)C(=O)CSC2=C(C(C(C(=O)N2)C#N)(C)C)C#N

Isomeric SMILES

C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSC2=C(C([C@@H](C(=O)N2)C#N)(C)C)C#N

InChI

InChI=1S/C18H21F3N4O2S/c1-10(11-4-5-11)25(9-18(19,20)21)14(26)8-28-16-13(7-23)17(2,3)12(6-22)15(27)24-16/h10-12H,4-5,8-9H2,1-3H3,(H,24,27)/t10-,12+/m0/s1