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

Systemtic Name: 3-[(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(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(=C3)C#N

Isomeric SMILES

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

InChI

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