(5-bromanyl-1-oxidanidyl-pyridin-1-ium-3-yl) carbamimidothioate

Systemtic Name: (5-bromanyl-1-oxidanidyl-pyridin-1-ium-3-yl) carbamimidothioate Openeye Name: 2-(5-bromo-1-oxido-pyridin-1-ium-3-yl)isothiourea CAS Name: carbamimidothioic acid (5-bromo-1-oxido-3-pyridin-1-iumyl) ester IUPAC Name: (5-bromo-1-oxidopyridin-1-ium-3-yl) carbamimidothioate Traditional Name: 2-(5-bromo-1-oxido-pyridin-1-ium-3-yl)isothiourea Formula: C6H6BrN3OS MolecularWeight: 248.10034

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=[N+](C=C1Br)[O-])SC(=N)N

Isomeric SMILES

C1=C(C=[N+](C=C1Br)[O-])SC(=N)N

InChI

InChI=1S/C6H6BrN3OS/c7-4-1-5(12-6(8)9)3-10(11)2-4/h1-3H,(H3,8,9)