N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(3-cyano-8-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(3-cyano-8-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-8-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-8-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-cyano-8-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-8-methyl-2-quinolyl)thio]acetamide Formula: C20H13ClF3N3OS MolecularWeight: 435.84993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H13ClF3N3OS/c1-11-3-2-4-12-7-13(9-25)19(27-18(11)12)29-10-17(28)26-16-8-14(20(22,23)24)5-6-15(16)21/h2-8H,10H2,1H3,(H,26,28)