S-[(3,5-dinitrophenyl)methyl] N,N-diethylcarbamothioate

Systemtic Name: S-[(3,5-dinitrophenyl)methyl] N,N-diethylcarbamothioate Openeye Name: S-[(3,5-dinitrophenyl)methyl] N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid S-[(3,5-dinitrophenyl)methyl] ester IUPAC Name: S-[(3,5-dinitrophenyl)methyl] N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid S-(3,5-dinitrobenzyl) ester Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SCC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)SCC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5S/c1-3-13(4-2)12(16)21-8-9-5-10(14(17)18)7-11(6-9)15(19)20/h5-7H,3-4,8H2,1-2H3