cyanomethyl 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: cyanomethyl 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: cyanomethyl 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid cyanomethyl ester Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC#N

Isomeric SMILES

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC#N

InChI

InChI=1S/C13H13N3O2S/c1-19-9-12-15-10-4-2-3-5-11(10)16(12)8-13(17)18-7-6-14/h2-5H,7-9H2,1H3