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

Systemtic Name: 2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-butanenitrile Openeye Name: 2-(4-methylthiazol-2-yl)-3-oxo-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-butanenitrile CAS Name: 2-(4-methyl-2-thiazolyl)-3-oxo-4-[[2-(trifluoromethyl)-4-quinazolinyl]thio]butanenitrile IUPAC Name: 2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylbutanenitrile Traditional Name: 3-keto-2-(4-methylthiazol-2-yl)-4-[[2-(trifluoromethyl)quinazolin-4-yl]thio]butyronitrile Formula: C17H11F3N4OS2 MolecularWeight: 408.42065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C17H11F3N4OS2/c1-9-7-26-15(22-9)11(6-21)13(25)8-27-14-10-4-2-3-5-12(10)23-16(24-14)17(18,19)20/h2-5,7,11H,8H2,1H3