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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O4S/c1-13-3-6-17(26-2)16(9-13)22-20(25)11-29-21-8-5-15(23-24-21)14-4-7-18-19(10-14)28-12-27-18/h3-10H,11-12H2,1-2H3,(H,22,25)