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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4OS/c1-14-5-2-3-7-19(14)26-20(27)17-9-8-16(22)11-18(17)25-21(26)28-13-15(12-24)6-4-10-23/h2-3,5,7-9,11,15H,4,6,13H2,1H3/t15-/m1/s1