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

Systemtic Name: methyl N'-[(6-chloranylpyridin-3-yl)methyl]-N-nitro-carbamimidothioate Openeye Name: 3-[(6-chloro-3-pyridyl)methyl]-2-methyl-1-nitro-isothiourea CAS Name: N'-[(6-chloro-3-pyridinyl)methyl]-N-nitrocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(6-chloropyridin-3-yl)methyl]-N-nitrocarbamimidothioate Traditional Name: 3-[(6-chloro-3-pyridyl)methyl]-2-methyl-1-nitro-isothiourea Formula: C8H9ClN4O2S MolecularWeight: 260.70066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CN=C(C=C1)Cl)N[N+](=O)[O-]

Isomeric SMILES

CSC(=NCC1=CN=C(C=C1)Cl)N[N+](=O)[O-]

InChI

InChI=1S/C8H9ClN4O2S/c1-16-8(12-13(14)15)11-5-6-2-3-7(9)10-4-6/h2-4H,5H2,1H3,(H,11,12)