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

Systemtic Name: (2R)-2-[[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]methyl]glutaronitrile Formula: C21H17FN4OS MolecularWeight: 392.449283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(CCC#N)C#N)CC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SC[C@H](CCC#N)C#N)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H17FN4OS/c22-17-9-7-15(8-10-17)13-26-20(27)18-5-1-2-6-19(18)25-21(26)28-14-16(12-24)4-3-11-23/h1-2,5-10,16H,3-4,13-14H2/t16-/m1/s1