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

Systemtic Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-2-oxidanyl-2-(thian-4-yl)but-3-ynamide Openeye Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-4-(4-methoxyphenyl)-2-tetrahydrothiopyran-4-yl-but-3-ynamide CAS Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-4-(4-methoxyphenyl)-2-(4-thianyl)-3-butynamide IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-4-(4-methoxyphenyl)-2-(thian-4-yl)but-3-ynamide Traditional Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-4-(4-methoxyphenyl)-2-tetrahydrothiopyran-4-yl-but-3-ynamide Formula: C24H21F3N2O3S MolecularWeight: 474.49535

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC(C2CCSCC2)(C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F)O

Isomeric SMILES

COC1=CC=C(C=C1)C#CC(C2CCSCC2)(C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F)O

InChI

InChI=1S/C24H21F3N2O3S/c1-32-20-6-2-16(3-7-20)8-11-23(31,18-9-12-33-13-10-18)22(30)29-19-5-4-17(15-28)21(14-19)24(25,26)27/h2-7,14,18,31H,9-10,12-13H2,1H3,(H,29,30)