N-[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-but-3-yn-2-yl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-but-3-yn-2-yl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethyl-prop-2-ynyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylbut-3-yn-2-yl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylbut-3-yn-2-yl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethyl-prop-2-ynyl]-2-[(4-chlorophenyl)thio]acetamide Formula: C21H16ClF6NOS MolecularWeight: 479.866259

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C#CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC(=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H16ClF6NOS/c1-19(2,29-18(30)12-31-17-5-3-16(22)4-6-17)8-7-13-9-14(20(23,24)25)11-15(10-13)21(26,27)28/h3-6,9-11H,12H2,1-2H3,(H,29,30)