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

Systemtic Name: 4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylethoxy]benzonitrile CAS Name: 4-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]ethoxy]benzonitrile Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H16ClN3O2S/c1-2-9-24-19(25)17-8-5-15(21)12-18(17)23-20(24)27-11-10-26-16-6-3-14(13-22)4-7-16/h2-8,12H,1,9-11H2