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

Systemtic Name: ethyl 2-(cyanomethylsulfanyl)-3-methyl-imidazole-4-carboxylate Openeye Name: ethyl 2-(cyanomethylsulfanyl)-3-methyl-imidazole-4-carboxylate CAS Name: 2-(cyanomethylthio)-3-methyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyanomethylsulfanyl)-3-methylimidazole-4-carboxylate Traditional Name: 2-(cyanomethylthio)-3-methyl-imidazole-4-carboxylic acid ethyl ester Formula: C9H11N3O2S MolecularWeight: 225.26754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N1C)SCC#N

Isomeric SMILES

CCOC(=O)C1=CN=C(N1C)SCC#N

InChI

InChI=1S/C9H11N3O2S/c1-3-14-8(13)7-6-11-9(12(7)2)15-5-4-10/h6H,3,5H2,1-2H3