methyl N'-methyl-N-[2-(1H-1,2,4-triazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate

Systemtic Name: methyl N'-methyl-N-[2-(1H-1,2,4-triazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate Openeye Name: 2,3-dimethyl-1-[2-(1H-1,2,4-triazol-5-ylmethylsulfanyl)ethyl]isothiourea CAS Name: N'-methyl-N-[2-(1H-1,2,4-triazol-5-ylmethylthio)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-methyl-N-[2-(1H-1,2,4-triazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate Traditional Name: 2,3-dimethyl-1-[2-(1H-1,2,4-triazol-5-ylmethylthio)ethyl]isothiourea Formula: C8H15N5S2 MolecularWeight: 245.3682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCSCC1=NC=NN1)SC

Isomeric SMILES

CN=C(NCCSCC1=NC=NN1)SC

InChI

InChI=1S/C8H15N5S2/c1-9-8(14-2)10-3-4-15-5-7-11-6-12-13-7/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12,13)