1-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-methylsulfanyl-4-oxidanylidene-quinolizine-3-carbonitrile

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-methylsulfanyl-4-oxidanylidene-quinolizine-3-carbonitrile Openeye Name: 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylsulfanyl-4-oxo-quinolizine-3-carbonitrile CAS Name: 1-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-(methylthio)-4-oxo-3-quinolizinecarbonitrile IUPAC Name: 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylsulfanyl-4-oxoquinolizine-3-carbonitrile Traditional Name: 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-2-(methylthio)quinolizine-3-carbonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)N3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)N3CCC4=CC=CC=C4C3)C#N

InChI

InChI=1S/C21H17N3O2S/c1-27-19-16(12-22)20(25)24-10-5-4-8-17(24)18(19)21(26)23-11-9-14-6-2-3-7-15(14)13-23/h2-8,10H,9,11,13H2,1H3