[1-[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl thiocyanate

Systemtic Name: [1-[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl thiocyanate Openeye Name: [1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]-2-piperidyl]methyl thiocyanate CAS Name: thiocyanic acid [1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]-2-piperidinyl]methyl ester IUPAC Name: [1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl thiocyanate Traditional Name: thiocyanic acid [1-[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]-2-piperidyl]methyl ester Formula: C17H16F3N3OS MolecularWeight: 367.38865

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CSC#N)C2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

Isomeric SMILES

C1CCN(C(C1)CSC#N)C2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

InChI

InChI=1S/C17H16F3N3OS/c18-17(19,20)14-8-16(24)22-15-5-4-11(7-13(14)15)23-6-2-1-3-12(23)9-25-10-21/h4-5,7-8,12H,1-3,6,9H2,(H,22,24)