4-[2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylethoxy]benzonitrile CAS Name: 4-[2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]ethoxy]benzonitrile Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCOC4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCOC4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C25H21N3O4S/c1-30-22-12-9-18(15-23(22)31-2)28-24(29)20-5-3-4-6-21(20)27-25(28)33-14-13-32-19-10-7-17(16-26)8-11-19/h3-12,15H,13-14H2,1-2H3