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

Systemtic Name: 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C18H16ClF3N2OS MolecularWeight: 400.84565

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H16ClF3N2OS/c1-11(26-16-15(19)8-14(9-23-16)18(20,21)22)17(25)24-7-6-12-4-2-3-5-13(12)10-24/h2-5,8-9,11H,6-7,10H2,1H3