3-tert-butylsulfanyl-4-(5-chloranyl-2-methoxy-phenyl)-6-(trifluoromethyl)-1H-quinolin-2-one

Systemtic Name: 3-tert-butylsulfanyl-4-(5-chloranyl-2-methoxy-phenyl)-6-(trifluoromethyl)-1H-quinolin-2-one Openeye Name: 3-tert-butylsulfanyl-4-(5-chloro-2-methoxy-phenyl)-6-(trifluoromethyl)-1H-quinolin-2-one CAS Name: 3-(tert-butylthio)-4-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one IUPAC Name: 3-tert-butylsulfanyl-4-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one Traditional Name: 3-(tert-butylthio)-4-(5-chloro-2-methoxy-phenyl)-6-(trifluoromethyl)carbostyril Formula: C21H19ClF3NO2S MolecularWeight: 441.89427

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC(C)(C)SC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H19ClF3NO2S/c1-20(2,3)29-18-17(14-10-12(22)6-8-16(14)28-4)13-9-11(21(23,24)25)5-7-15(13)26-19(18)27/h5-10H,1-4H3,(H,26,27)