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

Systemtic Name: 4-[3-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(2,4-difluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-(2,4-difluorophenyl)-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C18H13F2N3OS MolecularWeight: 357.377126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F2N3OS/c19-12-7-8-16(14(20)11-12)23-17(24)13-5-1-2-6-15(13)22-18(23)25-10-4-3-9-21/h1-2,5-8,11H,3-4,10H2