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

Systemtic Name: 4-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C19H16FN3OS MolecularWeight: 353.413243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N)F

InChI

InChI=1S/C19H16FN3OS/c1-13-8-9-14(12-16(13)20)23-18(24)15-6-2-3-7-17(15)22-19(23)25-11-5-4-10-21/h2-3,6-9,12H,4-5,11H2,1H3