2-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]sulfanylethanenitrile Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thio]acetonitrile Formula: C18H16N2OS MolecularWeight: 308.39744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C18H16N2OS/c19-10-12-22-17-8-4-3-7-16(17)18(21)20-11-9-14-5-1-2-6-15(14)13-20/h1-8H,9,11-13H2