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

Systemtic Name: methyl N'-[2-(1H-1,2,4-triazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate Openeye Name: 2-methyl-3-[2-(1H-1,2,4-triazol-5-ylmethylsulfanyl)ethyl]isothiourea CAS Name: N'-[2-(1H-1,2,4-triazol-5-ylmethylthio)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-(1H-1,2,4-triazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate Traditional Name: 2-methyl-3-[2-(1H-1,2,4-triazol-5-ylmethylthio)ethyl]isothiourea Formula: C7H13N5S2 MolecularWeight: 231.34162

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=NC=NN1)N

Isomeric SMILES

CSC(=NCCSCC1=NC=NN1)N

InChI

InChI=1S/C7H13N5S2/c1-13-7(8)9-2-3-14-4-6-10-5-11-12-6/h5H,2-4H2,1H3,(H2,8,9)(H,10,11,12)