methyl N,N'-diethynylcarbamimidothioate

Systemtic Name: methyl N,N'-diethynylcarbamimidothioate Openeye Name: 1,3-diethynyl-2-methyl-isothiourea CAS Name: N,N'-diethynylcarbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-diethynylcarbamimidothioate Traditional Name: 1,3-diethynyl-2-methyl-isothiourea Formula: C6H6N2S MolecularWeight: 138.19024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC#C)NC#C

Isomeric SMILES

CSC(=NC#C)NC#C

InChI

InChI=1S/C6H6N2S/c1-4-7-6(9-3)8-5-2/h1-2H,3H3,(H,7,8)