methyl N-[(5-bromanylpyridin-3-yl)methyl]-N,N'-dimethyl-carbamimidothioate

Systemtic Name: methyl N-[(5-bromanylpyridin-3-yl)methyl]-N,N'-dimethyl-carbamimidothioate Openeye Name: 1-[(5-bromo-3-pyridyl)methyl]-1,2,3-trimethyl-isothiourea CAS Name: N-[(5-bromo-3-pyridinyl)methyl]-N,N'-dimethylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(5-bromopyridin-3-yl)methyl]-N,N'-dimethylcarbamimidothioate Traditional Name: 1-[(5-bromo-3-pyridyl)methyl]-1,2,3-trimethyl-isothiourea Formula: C10H14BrN3S MolecularWeight: 288.20726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14BrN3S/c1-12-10(15-3)14(2)7-8-4-9(11)6-13-5-8/h4-6H,7H2,1-3H3