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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(CCC#N)C#N

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC[C@H](CCC#N)C#N

InChI

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