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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chlorobenzyl)-4-keto-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Formula: C23H15ClF3N3O2S MolecularWeight: 489.89731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15ClF3N3O2S/c24-16-5-1-3-13(9-16)12-28-20(31)14-7-8-18-19(10-14)29-22(33)30(21(18)32)17-6-2-4-15(11-17)23(25,26)27/h1-11H,12H2,(H,28,31)(H,29,33)