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

Systemtic Name: (2R)-2-[[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[(3-benzyl-4-oxoquinazolin-2-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(3-benzyl-4-keto-quinazolin-2-yl)thio]methyl]glutaronitrile Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(CCC#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC[C@H](CCC#N)C#N

InChI

InChI=1S/C21H18N4OS/c22-12-6-9-17(13-23)15-27-21-24-19-11-5-4-10-18(19)20(26)25(21)14-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,14-15H2/t17-/m1/s1