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)-1,2-dimethyl-3-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)-1,2-dimethyl-3-propyl-isothiourea Formula: C11H16ClN3S MolecularWeight: 257.78284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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