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

Systemtic Name: 4-[2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylethoxy]benzonitrile CAS Name: 4-[2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[(4-keto-3-veratryl-quinazolin-2-yl)thio]ethoxy]benzonitrile Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCOC4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCOC4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C26H23N3O4S/c1-31-23-12-9-19(15-24(23)32-2)17-29-25(30)21-5-3-4-6-22(21)28-26(29)34-14-13-33-20-10-7-18(16-27)8-11-20/h3-12,15H,13-14,17H2,1-2H3