5-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]thiophene-2-carboxylate

Systemtic Name: 5-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]thiophene-2-carboxylate Openeye Name: 5-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]thiophene-2-carboxylate CAS Name: 5-[(1Z)-1-[[2-(trifluoromethyl)-4-quinazolinyl]hydrazinylidene]ethyl]-2-thiophenecarboxylate IUPAC Name: 5-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]thiophene-2-carboxylate Traditional Name: 5-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-2-thenoate Formula: C16H10F3N4O2S- MolecularWeight: 379.33641

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC(=NC2=CC=CC=C21)C(F)(F)F)C3=CC=C(S3)C(=O)[O-]

Isomeric SMILES

C/C(=N/NC1=NC(=NC2=CC=CC=C21)C(F)(F)F)/C3=CC=C(S3)C(=O)[O-]

InChI

InChI=1S/C16H11F3N4O2S/c1-8(11-6-7-12(26-11)14(24)25)22-23-13-9-4-2-3-5-10(9)20-15(21-13)16(17,18)19/h2-7H,1H3,(H,24,25)(H,20,21,23)/p-1/b22-8-