4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylbutanenitrile

Systemtic Name: 4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylbutanenitrile Openeye Name: 4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylbutanenitrile CAS Name: 4-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]butanenitrile IUPAC Name: 4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylbutanenitrile Traditional Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]butyronitrile Formula: C18H14FN3S MolecularWeight: 323.387263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCCCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCCCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H14FN3S/c19-14-9-7-13(8-10-14)17-15-5-1-2-6-16(15)18(22-21-17)23-12-4-3-11-20/h1-2,5-10H,3-4,12H2