N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-ethanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-ethanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-acetamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(5-tert-butyl-2-methylphenyl)thio]acetamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(5-tert-butyl-2-methyl-phenyl)thio]acetamide Formula: C21H21F6NOS MolecularWeight: 449.452959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H21F6NOS/c1-12-5-6-13(19(2,3)4)10-17(12)30-11-18(29)28-16-8-14(20(22,23)24)7-15(9-16)21(25,26)27/h5-10H,11H2,1-4H3,(H,28,29)