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

Systemtic Name: (2R)-2-[[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]glutaronitrile Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4OS/c1-15-9-10-18(12-16(15)2)26-21(27)19-7-3-4-8-20(19)25-22(26)28-14-17(13-24)6-5-11-23/h3-4,7-10,12,17H,5-6,14H2,1-2H3/t17-/m1/s1