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

Systemtic Name: 4-oxidanylidene-3-phenyl-2-sulfanylidene-N-[4-(trifluoromethyloxy)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-phenyl-2-thioxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-phenyl-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-phenyl-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-phenyl-2-thioxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide Formula: C22H14F3N3O3S MolecularWeight: 457.42507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F)NC2=S

InChI

InChI=1S/C22H14F3N3O3S/c23-22(24,25)31-16-9-7-14(8-10-16)26-19(29)13-6-11-17-18(12-13)27-21(32)28(20(17)30)15-4-2-1-3-5-15/h1-12H,(H,26,29)(H,27,32)