2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]propanenitrile IUPAC Name: 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 2-[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]propionitrile Formula: C18H12F3N3OS MolecularWeight: 375.36759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H12F3N3OS/c1-11(10-22)26-17-23-15-8-3-2-7-14(15)16(25)24(17)13-6-4-5-12(9-13)18(19,20)21/h2-9,11H,1H3