methyl 1-cyano-1-methylsulfanylcarbothioyl-isoquinoline-2-carboxylate

Systemtic Name: methyl 1-cyano-1-methylsulfanylcarbothioyl-isoquinoline-2-carboxylate Openeye Name: methyl 1-cyano-1-methylsulfanylcarbothioyl-isoquinoline-2-carboxylate CAS Name: 1-cyano-1-[(methylthio)-sulfanylidenemethyl]-2-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-cyano-1-methylsulfanylcarbothioylisoquinoline-2-carboxylate Traditional Name: 1-cyano-1-(methylthio)carbothioyl-isoquinoline-2-carboxylic acid methyl ester Formula: C14H12N2O2S2 MolecularWeight: 304.38728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O2S2/c1-18-13(17)16-8-7-10-5-3-4-6-11(10)14(16,9-15)12(19)20-2/h3-8H,1-2H3