2-butan-2-yl-1-ethylsulfanyl-1H-isoquinoline

Systemtic Name: 2-butan-2-yl-1-ethylsulfanyl-1H-isoquinoline Openeye Name: 1-ethylsulfanyl-2-sec-butyl-1H-isoquinoline CAS Name: 2-butan-2-yl-1-(ethylthio)-1H-isoquinoline IUPAC Name: 2-butan-2-yl-1-ethylsulfanyl-1H-isoquinoline Traditional Name: 1-(ethylthio)-2-sec-butyl-1H-isoquinoline Formula: C15H21NS MolecularWeight: 247.39894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=CC2=CC=CC=C2C1SCC

Isomeric SMILES

CCC(C)N1C=CC2=CC=CC=C2C1SCC

InChI

InChI=1S/C15H21NS/c1-4-12(3)16-11-10-13-8-6-7-9-14(13)15(16)17-5-2/h6-12,15H,4-5H2,1-3H3