[2,6-dinitro-4-(trifluoromethyl)phenyl] carbamimidothioate

Systemtic Name: [2,6-dinitro-4-(trifluoromethyl)phenyl] carbamimidothioate Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]isothiourea CAS Name: carbamimidothioic acid [2,6-dinitro-4-(trifluoromethyl)phenyl] ester IUPAC Name: [2,6-dinitro-4-(trifluoromethyl)phenyl] carbamimidothioate Traditional Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]isothiourea Formula: C8H5F3N4O4S MolecularWeight: 310.20991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5F3N4O4S/c9-8(10,11)3-1-4(14(16)17)6(20-7(12)13)5(2-3)15(18)19/h1-2H,(H3,12,13)