2-nitro-4-[(Z)-[[3-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]methyl]phenolate

Systemtic Name: 2-nitro-4-[(Z)-[[3-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]methyl]phenolate Openeye Name: 2-nitro-4-[(Z)-[[3-(trifluoromethyl)phenyl]carbamothioylhydrazono]methyl]phenolate CAS Name: 2-nitro-4-[(Z)-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-nitro-4-[(Z)-[[3-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]methyl]phenolate Traditional Name: 2-nitro-4-[(Z)-[[3-(trifluoromethyl)phenyl]thiocarbamoylhydrazono]methyl]phenolate Formula: C15H10F3N4O3S- MolecularWeight: 383.32511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NN=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)N/N=C\C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H11F3N4O3S/c16-15(17,18)10-2-1-3-11(7-10)20-14(26)21-19-8-9-4-5-13(23)12(6-9)22(24)25/h1-8,23H,(H2,20,21,26)/p-1/b19-8-