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

Systemtic Name: 3-[[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(5-chloro-2-hydroxy-phenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(5-chloro-2-hydroxy-phenyl)-2-keto-6-(trifluoromethyl)-1H-quinolin-3-yl]thio]propionitrile Formula: C19H12ClF3N2O2S MolecularWeight: 424.82399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12ClF3N2O2S/c20-11-3-5-15(26)13(9-11)16-12-8-10(19(21,22)23)2-4-14(12)25-18(27)17(16)28-7-1-6-24/h2-5,8-9,26H,1,7H2,(H,25,27)