methyl 1-cyano-2-(dimethylcarbamoyl)isoquinoline-1-carbodithioate

Systemtic Name: methyl 1-cyano-2-(dimethylcarbamoyl)isoquinoline-1-carbodithioate Openeye Name: methyl 1-cyano-2-(dimethylcarbamoyl)isoquinoline-1-carbodithioate CAS Name: 1-cyano-2-[dimethylamino(oxo)methyl]-1-isoquinolinecarbodithioic acid methyl ester IUPAC Name: methyl 1-cyano-2-(dimethylcarbamoyl)isoquinoline-1-carbodithioate Traditional Name: 1-cyano-2-(dimethylcarbamoyl)isoquinoline-1-carbodithioic acid methyl ester Formula: C15H15N3OS2 MolecularWeight: 317.4291

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1C=CC2=CC=CC=C2C1(C#N)C(=S)SC

Isomeric SMILES

CN(C)C(=O)N1C=CC2=CC=CC=C2C1(C#N)C(=S)SC

InChI

InChI=1S/C15H15N3OS2/c1-17(2)14(19)18-9-8-11-6-4-5-7-12(11)15(18,10-16)13(20)21-3/h4-9H,1-3H3