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

Systemtic Name: 2-[2-[(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C22H16ClN5O2S MolecularWeight: 449.91274

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C22H16ClN5O2S/c1-2-10-28-21(30)16-12-14(23)7-8-18(16)26-22(28)31-13-19-25-17-6-4-3-5-15(17)20(29)27(19)11-9-24/h2-8,12H,1,10-11,13H2