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

Systemtic Name: (2R)-2-[(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(3-isopropyl-4-keto-quinazolin-2-yl)thio]methyl]glutaronitrile Formula: C17H18N4OS MolecularWeight: 326.41602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(CCC#N)C#N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SC[C@H](CCC#N)C#N

InChI

InChI=1S/C17H18N4OS/c1-12(2)21-16(22)14-7-3-4-8-15(14)20-17(21)23-11-13(10-19)6-5-9-18/h3-4,7-8,12-13H,5-6,11H2,1-2H3/t13-/m1/s1