(2R)-2-[[4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: (2R)-2-[[4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[4-oxo-3-[(1R)-1-phenylethyl]-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[4-keto-3-[(1R)-1-phenylethyl]quinazolin-2-yl]thio]methyl]glutaronitrile Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4OS/c1-16(18-9-3-2-4-10-18)26-21(27)19-11-5-6-12-20(19)25-22(26)28-15-17(14-24)8-7-13-23/h2-6,9-12,16-17H,7-8,15H2,1H3/t16-,17-/m1/s1