2-[3,4-dihydro-1H-isoquinolin-2-yl(methylsulfanyl)methylidene]propanedinitrile

Systemtic Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl(methylsulfanyl)methylidene]propanedinitrile Openeye Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl(methylsulfanyl)methylene]propanedinitrile CAS Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl-(methylthio)methylidene]propanedinitrile IUPAC Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl(methylsulfanyl)methylidene]propanedinitrile Traditional Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl-(methylthio)methylene]malononitrile Formula: C14H13N3S MolecularWeight: 255.33812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C#N)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CSC(=C(C#N)C#N)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C14H13N3S/c1-18-14(13(8-15)9-16)17-7-6-11-4-2-3-5-12(11)10-17/h2-5H,6-7,10H2,1H3