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

Systemtic Name: (2R)-2-[(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]methyl]glutaronitrile Formula: C17H15ClN4OS MolecularWeight: 358.8452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC[C@H](CCC#N)C#N

InChI

InChI=1S/C17H15ClN4OS/c1-2-8-22-16(23)14-9-13(18)5-6-15(14)21-17(22)24-11-12(10-20)4-3-7-19/h2,5-6,9,12H,1,3-4,8,11H2/t12-/m1/s1