4-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]benzonitrile CAS Name: 4-[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]benzonitrile IUPAC Name: 4-[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]benzonitrile Traditional Name: 4-[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]benzonitrile Formula: C20H15N3O2S MolecularWeight: 361.417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H15N3O2S/c1-2-11-23-19(25)16-5-3-4-6-17(16)22-20(23)26-13-18(24)15-9-7-14(12-21)8-10-15/h2-10H,1,11,13H2