2-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]pentanedinitrile Openeye Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]pentanedinitrile CAS Name: 2-[[[4-(4-fluorophenyl)-1-phthalazinyl]thio]methyl]pentanedinitrile IUPAC Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[[4-(4-fluorophenyl)phthalazin-1-yl]thio]methyl]glutaronitrile Formula: C20H15FN4S MolecularWeight: 362.423303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC(CCC#N)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC(CCC#N)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H15FN4S/c21-16-9-7-15(8-10-16)19-17-5-1-2-6-18(17)20(25-24-19)26-13-14(12-23)4-3-11-22/h1-2,5-10,14H,3-4,13H2