methyl N-cyano-N'-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-[(3-hydroxy-2-pyridyl)methylsulfanyl]ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-[(3-hydroxy-2-pyridinyl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-[(3-hydroxypyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-[(3-hydroxy-2-pyridyl)methylthio]ethyl]-2-methyl-isothiourea Formula: C11H14N4OS2 MolecularWeight: 282.38506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=C(C=CC=N1)O)NC#N

Isomeric SMILES

CSC(=NCCSCC1=C(C=CC=N1)O)NC#N

InChI

InChI=1S/C11H14N4OS2/c1-17-11(15-8-12)14-5-6-18-7-9-10(16)3-2-4-13-9/h2-4,16H,5-7H2,1H3,(H,14,15)