methyl N-cyano-N'-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-(isothiazol-3-ylmethylsulfanyl)ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-(3-isothiazolylmethylthio)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-(isothiazol-3-ylmethylthio)ethyl]-2-methyl-isothiourea Formula: C9H12N4S3 MolecularWeight: 272.41338

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=NSC=C1)NC#N

Isomeric SMILES

CSC(=NCCSCC1=NSC=C1)NC#N

InChI

InChI=1S/C9H12N4S3/c1-14-9(12-7-10)11-3-5-15-6-8-2-4-16-13-8/h2,4H,3,5-6H2,1H3,(H,11,12)