2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]-N-(4-fluorobenzyl)acetamide Formula: C20H16FN3O3S MolecularWeight: 397.422743

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H16FN3O3S/c21-15-4-1-13(2-5-15)10-22-19(25)11-28-20-8-6-16(23-24-20)14-3-7-17-18(9-14)27-12-26-17/h1-9H,10-12H2,(H,22,25)