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

Systemtic Name: 4-oxidanylidene-2-sulfanylidene-N-[3-(trifluoromethyloxy)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-2-thioxo-N-[3-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-2-sulfanylidene-N-[3-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-2-sulfanylidene-N-[3-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-2-thioxo-N-[3-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide Formula: C16H10F3N3O3S MolecularWeight: 381.32911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(F)(F)F)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

Isomeric SMILES

C1=CC(=CC(=C1)OC(F)(F)F)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

InChI

InChI=1S/C16H10F3N3O3S/c17-16(18,19)25-10-3-1-2-9(7-10)20-13(23)8-4-5-11-12(6-8)21-15(26)22-14(11)24/h1-7H,(H,20,23)(H2,21,22,24,26)