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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(CCC#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H](CCC#N)C#N

InChI

InChI=1S/C21H18N4OS/c1-15-8-10-17(11-9-15)25-20(26)18-6-2-3-7-19(18)24-21(25)27-14-16(13-23)5-4-12-22/h2-3,6-11,16H,4-5,14H2,1H3/t16-/m1/s1