4-[3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-2-hydroxy-propoxy]benzonitrile Formula: C24H18FN3O2S MolecularWeight: 431.482023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC(COC3=CC=C(C=C3)C#N)O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC(COC3=CC=C(C=C3)C#N)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H18FN3O2S/c25-18-9-7-17(8-10-18)23-21-3-1-2-4-22(21)24(28-27-23)31-15-19(29)14-30-20-11-5-16(13-26)6-12-20/h1-12,19,29H,14-15H2