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

Systemtic Name: (2R)-2-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[(3-allyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(3-allyl-4-keto-quinazolin-2-yl)thio]methyl]glutaronitrile Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(CCC#N)C#N

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](CCC#N)C#N

InChI

InChI=1S/C17H16N4OS/c1-2-10-21-16(22)14-7-3-4-8-15(14)20-17(21)23-12-13(11-19)6-5-9-18/h2-4,7-8,13H,1,5-6,10,12H2/t13-/m1/s1