(2R)-2-[[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: (2R)-2-[[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]methyl]glutaronitrile Formula: C20H14ClFN4OS MolecularWeight: 412.867763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(CCC#N)C#N)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SC[C@H](CCC#N)C#N)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H14ClFN4OS/c21-16-10-14(7-8-17(16)22)26-19(27)15-5-1-2-6-18(15)25-20(26)28-12-13(11-24)4-3-9-23/h1-2,5-8,10,13H,3-4,12H2/t13-/m1/s1