2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridazinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]thio]-N-phenethyl-acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN=C(C=C3)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN=C(C=C3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S/c26-21(23-11-10-16-4-2-1-3-5-16)15-29-22-9-7-18(24-25-22)17-6-8-19-20(14-17)28-13-12-27-19/h1-9,14H,10-13,15H2,(H,23,26)