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

Systemtic Name: methyl N-[(6-bromanylpyridin-3-yl)methyl]-N-ethyl-N'-methyl-carbamimidothioate Openeye Name: 1-[(6-bromo-3-pyridyl)methyl]-1-ethyl-2,3-dimethyl-isothiourea CAS Name: N-[(6-bromo-3-pyridinyl)methyl]-N-ethyl-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(6-bromopyridin-3-yl)methyl]-N-ethyl-N'-methylcarbamimidothioate Traditional Name: 1-[(6-bromo-3-pyridyl)methyl]-1-ethyl-2,3-dimethyl-isothiourea Formula: C11H16BrN3S MolecularWeight: 302.23384

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CN=C(C=C1)Br)C(=NC)SC

Isomeric SMILES

CCN(CC1=CN=C(C=C1)Br)C(=NC)SC

InChI

InChI=1S/C11H16BrN3S/c1-4-15(11(13-2)16-3)8-9-5-6-10(12)14-7-9/h5-7H,4,8H2,1-3H3