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

Systemtic Name: 3-[[5-[[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-4-oxidanyl-pentyl]-methyl-amino]propanenitrile Openeye Name: 3-[[5-[[4-(5-chloro-2-hydroxy-phenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-4-hydroxy-pentyl]-methyl-amino]propanenitrile CAS Name: 3-[[5-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]thio]-4-hydroxypentyl]-methylamino]propanenitrile IUPAC Name: 3-[[5-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-4-hydroxypentyl]-methylamino]propanenitrile Traditional Name: 3-[[5-[[4-(5-chloro-2-hydroxy-phenyl)-2-keto-6-(trifluoromethyl)-1H-quinolin-3-yl]thio]-4-hydroxy-pentyl]-methyl-amino]propionitrile Formula: C25H25ClF3N3O3S MolecularWeight: 539.99751

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(CSC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)O)O)CCC#N

Isomeric SMILES

CN(CCCC(CSC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)O)O)CCC#N

InChI

InChI=1S/C25H25ClF3N3O3S/c1-32(11-3-9-30)10-2-4-17(33)14-36-23-22(19-13-16(26)6-8-21(19)34)18-12-15(25(27,28)29)5-7-20(18)31-24(23)35/h5-8,12-13,17,33-34H,2-4,10-11,14H2,1H3,(H,31,35)