2-(3-pentylsulfanylphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(3-pentylsulfanylphenyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(3-pentylsulfanylphenyl)-4H-isoquinoline-1,3-dione CAS Name: 2-[3-(pentylthio)phenyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3-pentylsulfanylphenyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-[3-(amylthio)phenyl]-4H-isoquinoline-1,3-quinone Formula: C20H21NO2S MolecularWeight: 339.45124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC=CC(=C1)N2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCSC1=CC=CC(=C1)N2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H21NO2S/c1-2-3-6-12-24-17-10-7-9-16(14-17)21-19(22)13-15-8-4-5-11-18(15)20(21)23/h4-5,7-11,14H,2-3,6,12-13H2,1H3