2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl N-cyano-N'-methyl-carbamimidothioate

Systemtic Name: 2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl N-cyano-N'-methyl-carbamimidothioate Openeye Name: 1-cyano-3-methyl-2-[2-(thiazol-2-ylmethylsulfanyl)ethyl]isothiourea CAS Name: N-cyano-N'-methylcarbamimidothioic acid 2-(2-thiazolylmethylthio)ethyl ester IUPAC Name: 2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl N-cyano-N'-methylcarbamimidothioate Traditional Name: 1-cyano-3-methyl-2-[2-(thiazol-2-ylmethylthio)ethyl]isothiourea Formula: C9H12N4S3 MolecularWeight: 272.41338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)SCCSCC1=NC=CS1

Isomeric SMILES

CN=C(NC#N)SCCSCC1=NC=CS1

InChI

InChI=1S/C9H12N4S3/c1-11-9(13-7-10)16-5-4-14-6-8-12-2-3-15-8/h2-3H,4-6H2,1H3,(H,11,13)