4-oxidanylidene-2-sulfanylidene-N-[6-[2,2,2-tris(fluoranyl)ethoxy]pyridin-3-yl]-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-2-sulfanylidene-N-[6-[2,2,2-tris(fluoranyl)ethoxy]pyridin-3-yl]-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-2-thioxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridyl]-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-2-sulfanylidene-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-2-sulfanylidene-N-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-2-thioxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridyl]-1H-quinazoline-7-carboxamide Formula: C16H11F3N4O3S MolecularWeight: 396.34375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC3=CN=C(C=C3)OCC(F)(F)F)NC(=S)NC2=O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC3=CN=C(C=C3)OCC(F)(F)F)NC(=S)NC2=O

InChI

InChI=1S/C16H11F3N4O3S/c17-16(18,19)7-26-12-4-2-9(6-20-12)21-13(24)8-1-3-10-11(5-8)22-15(27)23-14(10)25/h1-6H,7H2,(H,21,24)(H2,22,23,25,27)