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

Systemtic Name: 4-[(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C19H14ClN3OS MolecularWeight: 367.85196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN3OS/c1-2-9-23-18(24)16-8-7-15(20)10-17(16)22-19(23)25-12-14-5-3-13(11-21)4-6-14/h2-8,10H,1,9,12H2