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

Systemtic Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-4-(4-hydroxyphenyl)-2-oxidanyl-2-(thian-4-yl)but-3-ynamide Openeye Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-4-(4-hydroxyphenyl)-2-tetrahydrothiopyran-4-yl-but-3-ynamide CAS Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-4-(4-hydroxyphenyl)-2-(4-thianyl)-3-butynamide IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-4-(4-hydroxyphenyl)-2-(thian-4-yl)but-3-ynamide Traditional Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-4-(4-hydroxyphenyl)-2-tetrahydrothiopyran-4-yl-but-3-ynamide Formula: C23H19F3N2O3S MolecularWeight: 460.46877

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1C(C#CC2=CC=C(C=C2)O)(C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F)O

Isomeric SMILES

C1CSCCC1C(C#CC2=CC=C(C=C2)O)(C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F)O

InChI

InChI=1S/C23H19F3N2O3S/c24-23(25,26)20-13-18(4-3-16(20)14-27)28-21(30)22(31,17-8-11-32-12-9-17)10-7-15-1-5-19(29)6-2-15/h1-6,13,17,29,31H,8-9,11-12H2,(H,28,30)