S-ethyl N-(2,2,2-trinitroethyl)carbamothioate

Systemtic Name: S-ethyl N-(2,2,2-trinitroethyl)carbamothioate Openeye Name: S-ethyl N-(2,2,2-trinitroethyl)carbamothioate CAS Name: N-(2,2,2-trinitroethyl)carbamothioic acid S-ethyl ester IUPAC Name: S-ethyl N-(2,2,2-trinitroethyl)carbamothioate Traditional Name: N-(2,2,2-trinitroethyl)thiocarbamic acid S-ethyl ester Formula: C5H8N4O7S MolecularWeight: 268.20462

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)NCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCSC(=O)NCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C5H8N4O7S/c1-2-17-4(10)6-3-5(7(11)12,8(13)14)9(15)16/h2-3H2,1H3,(H,6,10)