4-[2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[2-(4-ethoxyphenoxy)ethylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[2-(4-ethoxyphenoxy)ethylthio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H21N3O3S/c1-2-30-20-11-13-21(14-12-20)31-15-16-32-25-27-23-6-4-3-5-22(23)24(29)28(25)19-9-7-18(17-26)8-10-19/h3-14H,2,15-16H2,1H3