4-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[4-oxo-3-(4-phenoxyphenyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[4-keto-3-(4-phenoxyphenyl)quinazolin-2-yl]thio]butyronitrile Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCCCC#N

InChI

InChI=1S/C24H19N3O2S/c25-16-6-7-17-30-24-26-22-11-5-4-10-21(22)23(28)27(24)18-12-14-20(15-13-18)29-19-8-2-1-3-9-19/h1-5,8-15H,6-7,17H2