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

Systemtic Name: 3-[[3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]propanamide Openeye Name: 3-[[3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]propanamide CAS Name: 3-[[3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]propanamide IUPAC Name: 3-[[3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]propanamide Traditional Name: 3-[[3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]propionamide Formula: C14H14F3N3OS MolecularWeight: 329.34067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3N3OS/c15-14(16,17)12-8-3-1-2-4-10(8)20-13(9(12)7-18)22-6-5-11(19)21/h1-6H2,(H2,19,21)