4-isocyano-5-methylsulfanyl-1,2-thiazol-3-one

Systemtic Name: 4-isocyano-5-methylsulfanyl-1,2-thiazol-3-one Openeye Name: 4-isocyano-5-methylsulfanyl-isothiazol-3-one CAS Name: 4-isocyano-5-(methylthio)-3-isothiazolone IUPAC Name: 4-isocyano-5-methylsulfanyl-1,2-thiazol-3-one Traditional Name: 4-isocyano-5-(methylthio)-4-isothiazolin-3-one Formula: C5H4N2OS2 MolecularWeight: 172.22806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)NS1)[N+]#[C-]

Isomeric SMILES

CSC1=C(C(=O)NS1)[N+]#[C-]

InChI

InChI=1S/C5H4N2OS2/c1-6-3-4(8)7-10-5(3)9-2/h2H3,(H,7,8)