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

Systemtic Name: (2R)-2-[[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]methyl]glutaronitrile Formula: C23H22N4OS MolecularWeight: 402.51198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(CCC#N)C#N

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC[C@H](CCC#N)C#N

InChI

InChI=1S/C23H22N4OS/c1-16(2)18-9-4-6-12-21(18)27-22(28)19-10-3-5-11-20(19)26-23(27)29-15-17(14-25)8-7-13-24/h3-6,9-12,16-17H,7-8,15H2,1-2H3/t17-/m1/s1