2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C17H14ClF3N2OS MolecularWeight: 386.81907

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C17H14ClF3N2OS/c18-14-7-13(17(19,20)21)8-22-16(14)25-10-15(24)23-6-5-11-3-1-2-4-12(11)9-23/h1-4,7-8H,5-6,9-10H2