N-[4-cyano-3-(trifluoromethyl)phenyl]-4-(3-methylphenyl)-2-oxidanyl-2-(thian-4-yl)but-3-ynamide

Systemtic Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-4-(3-methylphenyl)-2-oxidanyl-2-(thian-4-yl)but-3-ynamide Openeye Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-4-(m-tolyl)-2-tetrahydrothiopyran-4-yl-but-3-ynamide CAS Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-4-(3-methylphenyl)-2-(4-thianyl)-3-butynamide IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-4-(3-methylphenyl)-2-(thian-4-yl)but-3-ynamide Traditional Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-4-(m-tolyl)-2-tetrahydrothiopyran-4-yl-but-3-ynamide Formula: C24H21F3N2O2S MolecularWeight: 458.49595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CC(C2CCSCC2)(C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F)O

Isomeric SMILES

CC1=CC=CC(=C1)C#CC(C2CCSCC2)(C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F)O

InChI

InChI=1S/C24H21F3N2O2S/c1-16-3-2-4-17(13-16)7-10-23(31,19-8-11-32-12-9-19)22(30)29-20-6-5-18(15-28)21(14-20)24(25,26)27/h2-6,13-14,19,31H,8-9,11-12H2,1H3,(H,29,30)