O-(4-methyl-3-nitro-phenyl) N,N-diethylcarbamothioate

Systemtic Name: O-(4-methyl-3-nitro-phenyl) N,N-diethylcarbamothioate Openeye Name: O-(4-methyl-3-nitro-phenyl) N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid O-(4-methyl-3-nitrophenyl) ester IUPAC Name: O-(4-methyl-3-nitrophenyl) N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid O-(4-methyl-3-nitro-phenyl) ester Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)OC1=CC(=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)OC1=CC(=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O3S/c1-4-13(5-2)12(18)17-10-7-6-9(3)11(8-10)14(15)16/h6-8H,4-5H2,1-3H3