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

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: N-(4-fluorobenzyl)-4-keto-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Formula: C23H15F4N3O2S MolecularWeight: 473.442713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)NC2=S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)NC2=S)C(F)(F)F

InChI

InChI=1S/C23H15F4N3O2S/c24-16-7-4-13(5-8-16)12-28-20(31)14-6-9-18-19(10-14)29-22(33)30(21(18)32)17-3-1-2-15(11-17)23(25,26)27/h1-11H,12H2,(H,28,31)(H,29,33)