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]-1,2-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]-1,2-dimethyl-isothiourea Formula: C9H12BrN3S MolecularWeight: 274.18068

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C(C=C1)Br)C(=N)SC

Isomeric SMILES

CN(CC1=CN=C(C=C1)Br)C(=N)SC

InChI

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