methyl N-cyano-N'-[3-(1,3-oxazol-2-ylsulfanyl)propyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[3-(1,3-oxazol-2-ylsulfanyl)propyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-(3-oxazol-2-ylsulfanylpropyl)isothiourea CAS Name: N-cyano-N'-[3-(2-oxazolylthio)propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[3-(1,3-oxazol-2-ylsulfanyl)propyl]carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-[3-(oxazol-2-ylthio)propyl]isothiourea Formula: C9H12N4OS2 MolecularWeight: 256.34778

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCSC1=NC=CO1)NC#N

Isomeric SMILES

CSC(=NCCCSC1=NC=CO1)NC#N

InChI

InChI=1S/C9H12N4OS2/c1-15-8(13-7-10)11-3-2-6-16-9-12-4-5-14-9/h4-5H,2-3,6H2,1H3,(H,11,13)