N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]acetamide Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C20H20N6O4S/c1-12-9-13(2)26(25-12)17-5-6-19(24-23-17)31-11-18(27)22-20(28)21-14-3-4-15-16(10-14)30-8-7-29-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,21,22,27,28)