4-oxidanylidene-2-sulfanylidene-N,3-bis[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-2-sulfanylidene-N,3-bis[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-2-thioxo-N,3-bis[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-2-sulfanylidene-N,3-bis[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-2-sulfanylidene-N,3-bis[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-2-thioxo-N,3-bis[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Formula: C23H13F6N3O2S MolecularWeight: 509.423639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C23H13F6N3O2S/c24-22(25,26)13-3-1-5-15(10-13)30-19(33)12-7-8-17-18(9-12)31-21(35)32(20(17)34)16-6-2-4-14(11-16)23(27,28)29/h1-11H,(H,30,33)(H,31,35)