2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetonitrile IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetonitrile Formula: C13H10ClN3OS MolecularWeight: 291.756

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC#N

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC#N

InChI

InChI=1S/C13H10ClN3OS/c1-2-6-17-12(18)10-4-3-9(14)8-11(10)16-13(17)19-7-5-15/h2-4,8H,1,6-7H2