(2S)-2-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]pentanedinitrile

Systemtic Name: (2S)-2-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]pentanedinitrile Openeye Name: (2S)-2-[[1-oxo-4-(2-thienyl)phthalazin-2-yl]methyl]pentanedinitrile CAS Name: (2S)-2-[(1-oxo-4-thiophen-2-yl-2-phthalazinyl)methyl]pentanedinitrile IUPAC Name: (2S)-2-[(1-oxo-4-thiophen-2-ylphthalazin-2-yl)methyl]pentanedinitrile Traditional Name: (2S)-2-[[1-keto-4-(2-thienyl)phthalazin-2-yl]methyl]glutaronitrile Formula: C18H14N4OS MolecularWeight: 334.39496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(CCC#N)C#N)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C[C@H](CCC#N)C#N)C3=CC=CS3

InChI

InChI=1S/C18H14N4OS/c19-9-3-5-13(11-20)12-22-18(23)15-7-2-1-6-14(15)17(21-22)16-8-4-10-24-16/h1-2,4,6-8,10,13H,3,5,12H2/t13-/m1/s1