2-[[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N-ethyl-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N-ethyl-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[[4-(5-chloro-2-hydroxy-phenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N-ethyl-N-(4-pyridylmethyl)acetamide CAS Name: 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]thio]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[[4-(5-chloro-2-hydroxy-phenyl)-2-keto-6-(trifluoromethyl)-1H-quinolin-3-yl]thio]-N-ethyl-N-(4-pyridylmethyl)acetamide Formula: C26H21ClF3N3O3S MolecularWeight: 547.97645

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C(=O)CSC2=C(C3=C(C=CC(=C3)C(F)(F)F)NC2=O)C4=C(C=CC(=C4)Cl)O

Isomeric SMILES

CCN(CC1=CC=NC=C1)C(=O)CSC2=C(C3=C(C=CC(=C3)C(F)(F)F)NC2=O)C4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C26H21ClF3N3O3S/c1-2-33(13-15-7-9-31-10-8-15)22(35)14-37-24-23(19-12-17(27)4-6-21(19)34)18-11-16(26(28,29)30)3-5-20(18)32-25(24)36/h3-12,34H,2,13-14H2,1H3,(H,32,36)