2-[(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C19H14ClN3OS MolecularWeight: 367.85196

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=CC=CC=C3C#N

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=CC=CC=C3C#N

InChI

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