4-[[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(5-chloro-2-hydroxy-phenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-(5-chloro-2-hydroxy-phenyl)-2-keto-6-(trifluoromethyl)-1H-quinolin-3-yl]thio]butyronitrile Formula: C20H14ClF3N2O2S MolecularWeight: 438.85057

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)C(=C(C(=O)N2)SCCCC#N)C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=C(C(=O)N2)SCCCC#N)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C20H14ClF3N2O2S/c21-12-4-6-16(27)14(10-12)17-13-9-11(20(22,23)24)3-5-15(13)26-19(28)18(17)29-8-2-1-7-25/h3-6,9-10,27H,1-2,8H2,(H,26,28)