1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylcarbonyl)-2-methylsulfanyl-4-oxidanylidene-quinolizine-3-carbonitrile

Systemtic Name: 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylcarbonyl)-2-methylsulfanyl-4-oxidanylidene-quinolizine-3-carbonitrile Openeye Name: 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-methylsulfanyl-4-oxo-quinolizine-3-carbonitrile CAS Name: 1-[3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(oxo)methyl]-2-(methylthio)-4-oxo-3-quinolizinecarbonitrile IUPAC Name: 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-methylsulfanyl-4-oxoquinolizine-3-carbonitrile Traditional Name: 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-4-keto-2-(methylthio)quinolizine-3-carbonitrile Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)N3CCCC4C3CCCC4)C#N

Isomeric SMILES

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)N3CCCC4C3CCCC4)C#N

InChI

InChI=1S/C21H23N3O2S/c1-27-19-15(13-22)20(25)24-11-5-4-10-17(24)18(19)21(26)23-12-6-8-14-7-2-3-9-16(14)23/h4-5,10-11,14,16H,2-3,6-9,12H2,1H3