N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C23H16FN3O3S MolecularWeight: 433.454843

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H16FN3O3S/c24-15-7-5-14(6-8-15)22-17-3-1-2-4-18(17)23(27-26-22)31-12-21(28)25-16-9-10-19-20(11-16)30-13-29-19/h1-11H,12-13H2,(H,25,28)