2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanenitrile Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetonitrile CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetonitrile IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetonitrile Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetonitrile Formula: C16H10FN3S MolecularWeight: 295.334103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10FN3S/c17-12-7-5-11(6-8-12)15-13-3-1-2-4-14(13)16(20-19-15)21-10-9-18/h1-8H,10H2