4-[2-[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-[7-chloro-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylethoxy]benzonitrile CAS Name: 4-[2-[[7-chloro-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[7-chloro-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[[7-chloro-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]ethoxy]benzonitrile Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22ClN3O3S/c1-2-28-11-3-10-26-21(27)19-9-6-17(23)14-20(19)25-22(26)30-13-12-29-18-7-4-16(15-24)5-8-18/h4-9,14H,2-3,10-13H2,1H3