methyl N'-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-N-cyano-carbamimidothioate

Systemtic Name: methyl N'-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-N-cyano-carbamimidothioate Openeye Name: 3-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethyl]-1-cyano-2-methyl-isothiourea CAS Name: N'-[2-[(3-bromo-2-pyridinyl)methylthio]ethyl]-N-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethyl]-N-cyanocarbamimidothioate Traditional Name: 3-[2-[(3-bromo-2-pyridyl)methylthio]ethyl]-1-cyano-2-methyl-isothiourea Formula: C11H13BrN4S2 MolecularWeight: 345.28172

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=C(C=CC=N1)Br)NC#N

Isomeric SMILES

CSC(=NCCSCC1=C(C=CC=N1)Br)NC#N

InChI

InChI=1S/C11H13BrN4S2/c1-17-11(16-8-13)15-5-6-18-7-10-9(12)3-2-4-14-10/h2-4H,5-7H2,1H3,(H,15,16)