methyl N-cyano-N'-[2-(1H-pyrazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-(1H-pyrazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[2-(1H-pyrazol-5-ylmethylsulfanyl)ethyl]isothiourea CAS Name: N-cyano-N'-[2-(1H-pyrazol-5-ylmethylthio)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-(1H-pyrazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-[2-(1H-pyrazol-5-ylmethylthio)ethyl]isothiourea Formula: C9H13N5S2 MolecularWeight: 255.36302

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=CC=NN1)NC#N

Isomeric SMILES

CSC(=NCCSCC1=CC=NN1)NC#N

InChI

InChI=1S/C9H13N5S2/c1-15-9(12-7-10)11-4-5-16-6-8-2-3-13-14-8/h2-3H,4-6H2,1H3,(H,11,12)(H,13,14)