1-[2-(2,4-dimethylphenyl)ethanoyl]-2-methylsulfanyl-4-oxidanylidene-quinolizine-3-carbonitrile

Systemtic Name: 1-[2-(2,4-dimethylphenyl)ethanoyl]-2-methylsulfanyl-4-oxidanylidene-quinolizine-3-carbonitrile Openeye Name: 1-[2-(2,4-dimethylphenyl)acetyl]-2-methylsulfanyl-4-oxo-quinolizine-3-carbonitrile CAS Name: 1-[2-(2,4-dimethylphenyl)-1-oxoethyl]-2-(methylthio)-4-oxo-3-quinolizinecarbonitrile IUPAC Name: 1-[2-(2,4-dimethylphenyl)acetyl]-2-methylsulfanyl-4-oxoquinolizine-3-carbonitrile Traditional Name: 1-[2-(2,4-dimethylphenyl)acetyl]-4-keto-2-(methylthio)quinolizine-3-carbonitrile Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(=O)C2=C3C=CC=CN3C(=O)C(=C2SC)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC(=O)C2=C3C=CC=CN3C(=O)C(=C2SC)C#N)C

InChI

InChI=1S/C21H18N2O2S/c1-13-7-8-15(14(2)10-13)11-18(24)19-17-6-4-5-9-23(17)21(25)16(12-22)20(19)26-3/h4-10H,11H2,1-3H3