cyanomethyl 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: cyanomethyl 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: cyanomethyl 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid cyanomethyl ester Formula: C14H15N3O2S MolecularWeight: 289.3528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC#N

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC#N

InChI

InChI=1S/C14H15N3O2S/c1-2-8-17-12-6-4-3-5-11(12)16-14(17)20-10-13(18)19-9-7-15/h3-6H,2,8-10H2,1H3