4-[(2-tert-butylphenyl)methylsulfanyl]-6-chloranyl-3-ethanoyl-8-(trifluoromethyl)-1H-quinolin-2-one

Systemtic Name: 4-[(2-tert-butylphenyl)methylsulfanyl]-6-chloranyl-3-ethanoyl-8-(trifluoromethyl)-1H-quinolin-2-one Openeye Name: 3-acetyl-4-[(2-tert-butylphenyl)methylsulfanyl]-6-chloro-8-(trifluoromethyl)-1H-quinolin-2-one CAS Name: 3-acetyl-4-[(2-tert-butylphenyl)methylthio]-6-chloro-8-(trifluoromethyl)-1H-quinolin-2-one IUPAC Name: 3-acetyl-4-[(2-tert-butylphenyl)methylsulfanyl]-6-chloro-8-(trifluoromethyl)-1H-quinolin-2-one Traditional Name: 3-acetyl-4-[(2-tert-butylbenzyl)thio]-6-chloro-8-(trifluoromethyl)carbostyril Formula: C23H21ClF3NO2S MolecularWeight: 467.93155

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=CC(=CC(=C2NC1=O)C(F)(F)F)Cl)SCC3=CC=CC=C3C(C)(C)C

Isomeric SMILES

CC(=O)C1=C(C2=CC(=CC(=C2NC1=O)C(F)(F)F)Cl)SCC3=CC=CC=C3C(C)(C)C

InChI

InChI=1S/C23H21ClF3NO2S/c1-12(29)18-20(31-11-13-7-5-6-8-16(13)22(2,3)4)15-9-14(24)10-17(23(25,26)27)19(15)28-21(18)30/h5-10H,11H2,1-4H3,(H,28,30)