S-[3-(trifluoromethyl)phenyl] (NZ)-N-(6-ethoxy-1-phenyl-pyridazin-4-ylidene)carbamothioate

Systemtic Name: S-[3-(trifluoromethyl)phenyl] (NZ)-N-(6-ethoxy-1-phenyl-pyridazin-4-ylidene)carbamothioate Openeye Name: S-[3-(trifluoromethyl)phenyl] (NZ)-N-(6-ethoxy-1-phenyl-pyridazin-4-ylidene)carbamothioate CAS Name: (NZ)-N-(6-ethoxy-1-phenyl-4-pyridazinylidene)carbamothioic acid S-[3-(trifluoromethyl)phenyl] ester IUPAC Name: S-[3-(trifluoromethyl)phenyl] (NZ)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)carbamothioate Traditional Name: (NZ)-N-(6-ethoxy-1-phenyl-pyridazin-4-ylidene)thiocarbamic acid S-[3-(trifluoromethyl)phenyl] ester Formula: C20H16F3N3O2S MolecularWeight: 419.42015

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC(=O)SC2=CC=CC(=C2)C(F)(F)F)C=NN1C3=CC=CC=C3

Isomeric SMILES

CCOC1=C/C(=N/C(=O)SC2=CC=CC(=C2)C(F)(F)F)/C=NN1C3=CC=CC=C3

InChI

InChI=1S/C20H16F3N3O2S/c1-2-28-18-12-15(13-24-26(18)16-8-4-3-5-9-16)25-19(27)29-17-10-6-7-14(11-17)20(21,22)23/h3-13H,2H2,1H3/b25-15-