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

Systemtic Name: methyl N'-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]carbamimidothioate Openeye Name: 3-[2-(isoxazol-3-ylmethylsulfanyl)ethyl]-2-methyl-isothiourea CAS Name: N'-[2-(3-isoxazolylmethylthio)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]carbamimidothioate Traditional Name: 3-[2-(isoxazol-3-ylmethylthio)ethyl]-2-methyl-isothiourea Formula: C8H13N3OS2 MolecularWeight: 231.33832

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=NOC=C1)N

Isomeric SMILES

CSC(=NCCSCC1=NOC=C1)N

InChI

InChI=1S/C8H13N3OS2/c1-13-8(9)10-3-5-14-6-7-2-4-12-11-7/h2,4H,3,5-6H2,1H3,(H2,9,10)