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

Systemtic Name: methyl N-(6-chloranylpyridin-3-yl)-N'-methyl-N-propyl-carbamimidothioate Openeye Name: 1-(6-chloro-3-pyridyl)-2,3-dimethyl-1-propyl-isothiourea CAS Name: N-(6-chloro-3-pyridinyl)-N'-methyl-N-propylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(6-chloropyridin-3-yl)-N'-methyl-N-propylcarbamimidothioate Traditional Name: 1-(6-chloro-3-pyridyl)-2,3-dimethyl-1-propyl-isothiourea Formula: C11H16ClN3S MolecularWeight: 257.78284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16ClN3S/c1-4-7-15(11(13-2)16-3)9-5-6-10(12)14-8-9/h5-6,8H,4,7H2,1-3H3