S-(2-butan-2-yl-4,6-dinitro-phenyl) N,N-dimethylcarbamothioate

Systemtic Name: S-(2-butan-2-yl-4,6-dinitro-phenyl) N,N-dimethylcarbamothioate Openeye Name: S-(2,4-dinitro-6-sec-butyl-phenyl) N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-(2-butan-2-yl-4,6-dinitrophenyl) ester IUPAC Name: S-(2-butan-2-yl-4,6-dinitrophenyl) N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-(2,4-dinitro-6-sec-butyl-phenyl) ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1SC(=O)N(C)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1SC(=O)N(C)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-5-8(2)10-6-9(15(18)19)7-11(16(20)21)12(10)22-13(17)14(3)4/h6-8H,5H2,1-4H3