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

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 3-benzyl-4-oxo-2-thioxo-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 3-benzyl-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 3-benzyl-4-keto-2-thioxo-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Formula: C23H16F3N3O2S MolecularWeight: 455.45225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)NC2=S

InChI

InChI=1S/C23H16F3N3O2S/c24-23(25,26)16-7-4-8-17(12-16)27-20(30)15-9-10-18-19(11-15)28-22(32)29(21(18)31)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,27,30)(H,28,32)