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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]-N-(3,5-dimethylphenyl)acetamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-13-7-14(2)9-16(8-13)22-20(25)11-28-21-6-4-17(23-24-21)15-3-5-18-19(10-15)27-12-26-18/h3-10H,11-12H2,1-2H3,(H,22,25)