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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)SCCSCC1=CN=CN1

Isomeric SMILES

CN=C(NC#N)SCCSCC1=CN=CN1

InChI

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