methyl N-cyano-N'-[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-(1H-imidazol-5-ylmethylthio)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-(1H-imidazol-5-ylmethylthio)ethyl]-2-methyl-isothiourea Formula: C9H13N5S2 MolecularWeight: 255.36302

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=CN=CN1)NC#N

Isomeric SMILES

CSC(=NCCSCC1=CN=CN1)NC#N

InChI

InChI=1S/C9H13N5S2/c1-15-9(13-6-10)12-2-3-16-5-8-4-11-7-14-8/h4,7H,2-3,5H2,1H3,(H,11,14)(H,12,13)