methyl N'-(5-bromanylpyridin-3-yl)-N-cyano-carbamimidothioate

Systemtic Name: methyl N'-(5-bromanylpyridin-3-yl)-N-cyano-carbamimidothioate Openeye Name: 3-(5-bromo-3-pyridyl)-1-cyano-2-methyl-isothiourea CAS Name: N'-(5-bromo-3-pyridinyl)-N-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(5-bromopyridin-3-yl)-N-cyanocarbamimidothioate Traditional Name: 3-(5-bromo-3-pyridyl)-1-cyano-2-methyl-isothiourea Formula: C8H7BrN4S MolecularWeight: 271.13698

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC(=CN=C1)Br)NC#N

Isomeric SMILES

CSC(=NC1=CC(=CN=C1)Br)NC#N

InChI

InChI=1S/C8H7BrN4S/c1-14-8(12-5-10)13-7-2-6(9)3-11-4-7/h2-4H,1H3,(H,12,13)