3-methylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-methylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-methylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(methylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-methylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(methylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C11H12N2S MolecularWeight: 204.29138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2CCCCC2=C1C#N

Isomeric SMILES

CSC1=NC=C2CCCCC2=C1C#N

InChI

InChI=1S/C11H12N2S/c1-14-11-10(6-12)9-5-3-2-4-8(9)7-13-11/h7H,2-5H2,1H3