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

Systemtic Name: 4-[2-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-[3-[(4-methoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylethoxy]benzonitrile CAS Name: 4-[2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[(4-keto-3-p-anisyl-quinazolin-2-yl)thio]ethoxy]benzonitrile Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O3S/c1-30-20-10-8-19(9-11-20)17-28-24(29)22-4-2-3-5-23(22)27-25(28)32-15-14-31-21-12-6-18(16-26)7-13-21/h2-13H,14-15,17H2,1H3