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

Systemtic Name: methyl N-cyano-N'-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-(isoxazol-3-ylmethylsulfanyl)ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-(3-isoxazolylmethylthio)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-(isoxazol-3-ylmethylthio)ethyl]-2-methyl-isothiourea Formula: C9H12N4OS2 MolecularWeight: 256.34778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N4OS2/c1-15-9(12-7-10)11-3-5-16-6-8-2-4-14-13-8/h2,4H,3,5-6H2,1H3,(H,11,12)