(2R)-2-[[7-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: (2R)-2-[[7-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[7-chloro-4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[7-chloro-3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[7-chloro-4-keto-3-(p-tolyl)quinazolin-2-yl]thio]methyl]glutaronitrile Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4OS/c1-14-4-7-17(8-5-14)26-20(27)18-9-6-16(22)11-19(18)25-21(26)28-13-15(12-24)3-2-10-23/h4-9,11,15H,2-3,13H2,1H3/t15-/m1/s1