S-[2-(2-methylprop-2-enyl)-6-nitro-phenyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[2-(2-methylprop-2-enyl)-6-nitro-phenyl] N,N-dimethylcarbamothioate Openeye Name: S-[2-(2-methylallyl)-6-nitro-phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[2-(2-methylprop-2-enyl)-6-nitrophenyl] ester IUPAC Name: S-[2-(2-methylprop-2-enyl)-6-nitrophenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[2-(2-methylallyl)-6-nitro-phenyl] ester Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1=C(C(=CC=C1)[N+](=O)[O-])SC(=O)N(C)C

Isomeric SMILES

CC(=C)CC1=C(C(=CC=C1)[N+](=O)[O-])SC(=O)N(C)C

InChI

InChI=1S/C13H16N2O3S/c1-9(2)8-10-6-5-7-11(15(17)18)12(10)19-13(16)14(3)4/h5-7H,1,8H2,2-4H3