6,7-dimethoxy-1-(3-methylsulfanylphenyl)carbonyl-isoquinoline-4-carbonitrile

Systemtic Name: 6,7-dimethoxy-1-(3-methylsulfanylphenyl)carbonyl-isoquinoline-4-carbonitrile Openeye Name: 6,7-dimethoxy-1-(3-methylsulfanylbenzoyl)isoquinoline-4-carbonitrile CAS Name: 6,7-dimethoxy-1-[[3-(methylthio)phenyl]-oxomethyl]-4-isoquinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-1-(3-methylsulfanylbenzoyl)isoquinoline-4-carbonitrile Traditional Name: 6,7-dimethoxy-1-[3-(methylthio)benzoyl]isoquinoline-4-carbonitrile Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)SC)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)SC)C#N)OC

InChI

InChI=1S/C20H16N2O3S/c1-24-17-8-15-13(10-21)11-22-19(16(15)9-18(17)25-2)20(23)12-5-4-6-14(7-12)26-3/h4-9,11H,1-3H3