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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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