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

Systemtic Name: N-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 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-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[4-fluoro-2-(trifluoromethyl)benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H11F4N3O2S MolecularWeight: 397.346753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NCC3=C(C=C(C=C3)F)C(F)(F)F)NC(=S)NC2=O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NCC3=C(C=C(C=C3)F)C(F)(F)F)NC(=S)NC2=O

InChI

InChI=1S/C17H11F4N3O2S/c18-10-3-1-9(12(6-10)17(19,20)21)7-22-14(25)8-2-4-11-13(5-8)23-16(27)24-15(11)26/h1-6H,7H2,(H,22,25)(H2,23,24,26,27)