ethyl 2-(cyanomethylsulfanyl)-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-(cyanomethylsulfanyl)-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-(cyanomethylsulfanyl)-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-(cyanomethylthio)-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyanomethylsulfanyl)-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-(cyanomethylthio)-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC#N

InChI

InChI=1S/C14H15N3O2S/c1-3-17-12-6-5-10(13(18)19-4-2)9-11(12)16-14(17)20-8-7-15/h5-6,9H,3-4,8H2,1-2H3