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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)SCCSCC1=NSC=C1

Isomeric SMILES

CN=C(NC#N)SCCSCC1=NSC=C1

InChI

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