methyl N'-[(6-chloranylpyridin-3-yl)methyl]-N-cyano-carbamimidothioate

Systemtic Name: methyl N'-[(6-chloranylpyridin-3-yl)methyl]-N-cyano-carbamimidothioate Openeye Name: 3-[(6-chloro-3-pyridyl)methyl]-1-cyano-2-methyl-isothiourea CAS Name: N'-[(6-chloro-3-pyridinyl)methyl]-N-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(6-chloropyridin-3-yl)methyl]-N-cyanocarbamimidothioate Traditional Name: 3-[(6-chloro-3-pyridyl)methyl]-1-cyano-2-methyl-isothiourea Formula: C9H9ClN4S MolecularWeight: 240.71256

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CN=C(C=C1)Cl)NC#N

Isomeric SMILES

CSC(=NCC1=CN=C(C=C1)Cl)NC#N

InChI

InChI=1S/C9H9ClN4S/c1-15-9(14-6-11)13-5-7-2-3-8(10)12-4-7/h2-4H,5H2,1H3,(H,13,14)