cyanomethyl N-(2-cyano-4,5-dimethoxy-phenyl)pyrrolidine-1-carboximidothioate

Systemtic Name: cyanomethyl N-(2-cyano-4,5-dimethoxy-phenyl)pyrrolidine-1-carboximidothioate Openeye Name: cyanomethyl N-(2-cyano-4,5-dimethoxy-phenyl)pyrrolidine-1-carboximidothioate CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarboximidothioic acid cyanomethyl ester IUPAC Name: cyanomethyl N-(2-cyano-4,5-dimethoxyphenyl)pyrrolidine-1-carboximidothioate Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)pyrrolidine-1-carboximidothioic acid cyanomethyl ester Formula: C16H18N4O2S MolecularWeight: 330.40472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)N=C(N2CCCC2)SCC#N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)N=C(N2CCCC2)SCC#N)OC

InChI

InChI=1S/C16H18N4O2S/c1-21-14-9-12(11-18)13(10-15(14)22-2)19-16(23-8-5-17)20-6-3-4-7-20/h9-10H,3-4,6-8H2,1-2H3