3,4-dihydro-1H-isoquinolin-2-yl-[6-(phenylmethylsulfanyl)pyridin-3-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[6-(phenylmethylsulfanyl)pyridin-3-yl]methanone Openeye Name: (6-benzylsulfanyl-3-pyridyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[6-(phenylmethylthio)-3-pyridinyl]methanone IUPAC Name: (6-benzylsulfanylpyridin-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [6-(benzylthio)-3-pyridyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H20N2OS MolecularWeight: 360.472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CN=C(C=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CN=C(C=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H20N2OS/c25-22(24-13-12-18-8-4-5-9-20(18)15-24)19-10-11-21(23-14-19)26-16-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2