methyl 5-(cyanomethyl)-2-methylsulfanyl-1H-imidazole-4-carboxylate

Systemtic Name: methyl 5-(cyanomethyl)-2-methylsulfanyl-1H-imidazole-4-carboxylate Openeye Name: methyl 5-(cyanomethyl)-2-methylsulfanyl-1H-imidazole-4-carboxylate CAS Name: 5-(cyanomethyl)-2-(methylthio)-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-(cyanomethyl)-2-methylsulfanyl-1H-imidazole-4-carboxylate Traditional Name: 5-(cyanomethyl)-2-(methylthio)-1H-imidazole-4-carboxylic acid methyl ester Formula: C8H9N3O2S MolecularWeight: 211.24096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=N1)SC)CC#N

Isomeric SMILES

COC(=O)C1=C(NC(=N1)SC)CC#N

InChI

InChI=1S/C8H9N3O2S/c1-13-7(12)6-5(3-4-9)10-8(11-6)14-2/h3H2,1-2H3,(H,10,11)