2-[4-(1-benzothiophen-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanenitrile

Systemtic Name: 2-[4-(1-benzothiophen-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanenitrile Openeye Name: 2-[4-(benzothiophen-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]acetonitrile CAS Name: 2-[4-(1-benzothiophen-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]acetonitrile IUPAC Name: 2-[4-(1-benzothiophen-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]acetonitrile Traditional Name: 2-[4-(benzothiophen-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]acetonitrile Formula: C19H16N2S MolecularWeight: 304.40874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CN1CC#N)C3=CC4=C(C=C3)SC=C4

Isomeric SMILES

C1C(C2=CC=CC=C2CN1CC#N)C3=CC4=C(C=C3)SC=C4

InChI

InChI=1S/C19H16N2S/c20-8-9-21-12-16-3-1-2-4-17(16)18(13-21)14-5-6-19-15(11-14)7-10-22-19/h1-7,10-11,18H,9,12-13H2