3,4-dihydro-1H-isoquinolin-2-yl-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(phenylthio)-3-pyridyl]methanone Formula: C21H18N2OS MolecularWeight: 346.44542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H18N2OS/c24-21(23-14-12-16-7-4-5-8-17(16)15-23)19-11-6-13-22-20(19)25-18-9-2-1-3-10-18/h1-11,13H,12,14-15H2