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

Systemtic Name: (2R)-2-[[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[3-(2-chlorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl]thio]methyl]glutaronitrile Formula: C20H15ClN4OS MolecularWeight: 394.8773

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(CCC#N)C#N)C3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SC[C@H](CCC#N)C#N)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H15ClN4OS/c21-16-8-2-4-10-18(16)25-19(26)15-7-1-3-9-17(15)24-20(25)27-13-14(12-23)6-5-11-22/h1-4,7-10,14H,5-6,13H2/t14-/m1/s1