3-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(4-fluorophenyl)-1-phthalazinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-(4-fluorophenyl)phthalazin-1-yl]thio]methyl]benzonitrile Formula: C22H14FN3S MolecularWeight: 371.430063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H14FN3S/c23-18-10-8-17(9-11-18)21-19-6-1-2-7-20(19)22(26-25-21)27-14-16-5-3-4-15(12-16)13-24/h1-12H,14H2