N-(2-cyano-1-benzofuran-3-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-1-benzofuran-3-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanobenzofuran-3-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(2-cyano-3-benzofuranyl)-2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(2-cyano-1-benzofuran-3-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(2-cyanobenzofuran-3-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]acetamide Formula: C20H16N6O2S MolecularWeight: 404.44504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)NC3=C(OC4=CC=CC=C43)C#N)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)NC3=C(OC4=CC=CC=C43)C#N)C

InChI

InChI=1S/C20H16N6O2S/c1-12-9-13(2)26(25-12)17-7-8-19(24-23-17)29-11-18(27)22-20-14-5-3-4-6-15(14)28-16(20)10-21/h3-9H,11H2,1-2H3,(H,22,27)