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

Systemtic Name: methyl N-[(6-chloranylpyridin-3-yl)methyl]-N-ethyl-N'-nitro-carbamimidothioate Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]-1-ethyl-2-methyl-3-nitro-isothiourea CAS Name: N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-N'-nitrocarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-nitrocarbamimidothioate Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-1-ethyl-2-methyl-3-nitro-isothiourea Formula: C10H13ClN4O2S MolecularWeight: 288.75382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CN=C(C=C1)Cl)C(=N[N+](=O)[O-])SC

Isomeric SMILES

CCN(CC1=CN=C(C=C1)Cl)/C(=N/[N+](=O)[O-])/SC

InChI

InChI=1S/C10H13ClN4O2S/c1-3-14(10(18-2)13-15(16)17)7-8-4-5-9(11)12-6-8/h4-6H,3,7H2,1-2H3/b13-10-