methyl N-[(6-bromanylpyridin-3-yl)methyl]-N'-methyl-carbamimidothioate

Systemtic Name: methyl N-[(6-bromanylpyridin-3-yl)methyl]-N'-methyl-carbamimidothioate Openeye Name: 1-[(6-bromo-3-pyridyl)methyl]-2,3-dimethyl-isothiourea CAS Name: N-[(6-bromo-3-pyridinyl)methyl]-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(6-bromopyridin-3-yl)methyl]-N'-methylcarbamimidothioate Traditional Name: 1-[(6-bromo-3-pyridyl)methyl]-2,3-dimethyl-isothiourea Formula: C9H12BrN3S MolecularWeight: 274.18068

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCC1=CN=C(C=C1)Br)SC

Isomeric SMILES

CN=C(NCC1=CN=C(C=C1)Br)SC

InChI

InChI=1S/C9H12BrN3S/c1-11-9(14-2)13-6-7-3-4-8(10)12-5-7/h3-5H,6H2,1-2H3,(H,11,13)