3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-butanenitrile

Systemtic Name: 3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-butanenitrile Openeye Name: 3-oxo-2-(4-phenylthiazol-2-yl)-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-butanenitrile CAS Name: 3-oxo-2-(4-phenyl-2-thiazolyl)-4-[[2-(trifluoromethyl)-4-quinazolinyl]thio]butanenitrile IUPAC Name: 3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylbutanenitrile Traditional Name: 3-keto-2-(4-phenylthiazol-2-yl)-4-[[2-(trifluoromethyl)quinazolin-4-yl]thio]butyronitrile Formula: C22H13F3N4OS2 MolecularWeight: 470.49003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C22H13F3N4OS2/c23-22(24,25)21-28-16-9-5-4-8-14(16)19(29-21)32-12-18(30)15(10-26)20-27-17(11-31-20)13-6-2-1-3-7-13/h1-9,11,15H,12H2