2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide CAS Name: 2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetamide IUPAC Name: 2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetamide Formula: C13H12F3N3OS MolecularWeight: 315.31409

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)N)C#N)C(F)(F)F

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)N)C#N)C(F)(F)F

InChI

InChI=1S/C13H12F3N3OS/c14-13(15,16)11-7-3-1-2-4-9(7)19-12(8(11)5-17)21-6-10(18)20/h1-4,6H2,(H2,18,20)