O-[2-(3-bromanylpyridin-2-yl)-4-nitro-phenyl] N,N-dimethylcarbamothioate

Systemtic Name: O-[2-(3-bromanylpyridin-2-yl)-4-nitro-phenyl] N,N-dimethylcarbamothioate Openeye Name: O-[2-(3-bromo-2-pyridyl)-4-nitro-phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid O-[2-(3-bromo-2-pyridinyl)-4-nitrophenyl] ester IUPAC Name: O-[2-(3-bromopyridin-2-yl)-4-nitrophenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid O-[2-(3-bromo-2-pyridyl)-4-nitro-phenyl] ester Formula: C14H12BrN3O3S MolecularWeight: 382.23238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)OC1=C(C=C(C=C1)[N+](=O)[O-])C2=C(C=CC=N2)Br

Isomeric SMILES

CN(C)C(=S)OC1=C(C=C(C=C1)[N+](=O)[O-])C2=C(C=CC=N2)Br

InChI

InChI=1S/C14H12BrN3O3S/c1-17(2)14(22)21-12-6-5-9(18(19)20)8-10(12)13-11(15)4-3-7-16-13/h3-8H,1-2H3