methyl N-butyl-N-(6-chloranylpyridin-3-yl)-N'-methyl-carbamimidothioate

Systemtic Name: methyl N-butyl-N-(6-chloranylpyridin-3-yl)-N'-methyl-carbamimidothioate Openeye Name: 1-butyl-1-(6-chloro-3-pyridyl)-2,3-dimethyl-isothiourea CAS Name: N-butyl-N-(6-chloro-3-pyridinyl)-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-butyl-N-(6-chloropyridin-3-yl)-N'-methylcarbamimidothioate Traditional Name: 1-butyl-1-(6-chloro-3-pyridyl)-2,3-dimethyl-isothiourea Formula: C12H18ClN3S MolecularWeight: 271.80942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CN=C(C=C1)Cl)C(=NC)SC

Isomeric SMILES

CCCCN(C1=CN=C(C=C1)Cl)C(=NC)SC

InChI

InChI=1S/C12H18ClN3S/c1-4-5-8-16(12(14-2)17-3)10-6-7-11(13)15-9-10/h6-7,9H,4-5,8H2,1-3H3