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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-ethyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-ethyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-N-ethylacetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-ethylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-N-ethyl-acetamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NN=C(C=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CCN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NN=C(C=C3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C22H25N5O3S/c1-4-26(12-17-13-29-18-7-5-6-8-19(18)30-17)22(28)14-31-21-10-9-20(23-24-21)27-16(3)11-15(2)25-27/h5-11,17H,4,12-14H2,1-3H3