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

Systemtic Name: 4-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(3-allyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(3-allyl-4-keto-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C19H15N3OS MolecularWeight: 333.4069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H15N3OS/c1-2-11-22-18(23)16-5-3-4-6-17(16)21-19(22)24-13-15-9-7-14(12-20)8-10-15/h2-10H,1,11,13H2