ethyl 2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazole-1-carboxylate

Systemtic Name: ethyl 2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazole-1-carboxylate Openeye Name: ethyl 2-(3-pyridylmethylsulfanyl)-4,5-dihydroimidazole-1-carboxylate CAS Name: 2-(3-pyridinylmethylthio)-4,5-dihydroimidazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazole-1-carboxylate Traditional Name: 2-(3-pyridylmethylthio)-2-imidazoline-1-carboxylic acid ethyl ester Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN=C1SCC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)N1CCN=C1SCC2=CN=CC=C2

InChI

InChI=1S/C12H15N3O2S/c1-2-17-12(16)15-7-6-14-11(15)18-9-10-4-3-5-13-8-10/h3-5,8H,2,6-7,9H2,1H3