3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanenitrile

Systemtic Name: 3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanenitrile Openeye Name: 3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanenitrile CAS Name: 3-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]propanenitrile IUPAC Name: 3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanenitrile Traditional Name: 3-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]propionitrile Formula: C17H12FN3S MolecularWeight: 309.360683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H12FN3S/c18-13-8-6-12(7-9-13)16-14-4-1-2-5-15(14)17(21-20-16)22-11-3-10-19/h1-2,4-9H,3,11H2