[3-[2-(chloromethyl)-5-nitro-pyridin-3-yl]-3-oxidanylidene-propyl] N,N-dimethylcarbamodithioate

Systemtic Name: [3-[2-(chloromethyl)-5-nitro-pyridin-3-yl]-3-oxidanylidene-propyl] N,N-dimethylcarbamodithioate Openeye Name: [3-[2-(chloromethyl)-5-nitro-3-pyridyl]-3-oxo-propyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [3-[2-(chloromethyl)-5-nitro-3-pyridinyl]-3-oxopropyl] ester IUPAC Name: [3-[2-(chloromethyl)-5-nitropyridin-3-yl]-3-oxopropyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [3-[2-(chloromethyl)-5-nitro-3-pyridyl]-3-keto-propyl] ester Formula: C12H14ClN3O3S2 MolecularWeight: 347.84086

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SCCC(=O)C1=CC(=CN=C1CCl)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=S)SCCC(=O)C1=CC(=CN=C1CCl)[N+](=O)[O-]

InChI

InChI=1S/C12H14ClN3O3S2/c1-15(2)12(20)21-4-3-11(17)9-5-8(16(18)19)7-14-10(9)6-13/h5,7H,3-4,6H2,1-2H3