4-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-[2,5-bis(trifluoromethyl)phenyl]-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C20H13F6N3OS MolecularWeight: 457.392139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC#N)C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC#N)C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H13F6N3OS/c21-19(22,23)12-7-8-14(20(24,25)26)16(11-12)29-17(30)13-5-1-2-6-15(13)28-18(29)31-10-4-3-9-27/h1-2,5-8,11H,3-4,10H2