methyl 2-(cyanomethylsulfanyl)-3-methyl-imidazole-4-carboxylate

Systemtic Name: methyl 2-(cyanomethylsulfanyl)-3-methyl-imidazole-4-carboxylate Openeye Name: methyl 2-(cyanomethylsulfanyl)-3-methyl-imidazole-4-carboxylate CAS Name: 2-(cyanomethylthio)-3-methyl-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethylsulfanyl)-3-methylimidazole-4-carboxylate Traditional Name: 2-(cyanomethylthio)-3-methyl-imidazole-4-carboxylic acid methyl ester Formula: C8H9N3O2S MolecularWeight: 211.24096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC#N)C(=O)OC

Isomeric SMILES

CN1C(=CN=C1SCC#N)C(=O)OC

InChI

InChI=1S/C8H9N3O2S/c1-11-6(7(12)13-2)5-10-8(11)14-4-3-9/h5H,4H2,1-2H3