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

Systemtic Name: N-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[4-fluoro-2-(trifluoromethyl)benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H15F4N3O2S MolecularWeight: 437.410613

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(C=C(C=C3)F)C(F)(F)F)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(C=C(C=C3)F)C(F)(F)F)NC1=S

InChI

InChI=1S/C20H15F4N3O2S/c1-2-7-27-18(29)14-6-4-11(8-16(14)26-19(27)30)17(28)25-10-12-3-5-13(21)9-15(12)20(22,23)24/h2-6,8-9H,1,7,10H2,(H,25,28)(H,26,30)