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

Systemtic Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: 2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]acetamide Formula: C20H21N5OS2 MolecularWeight: 411.54364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)NC3=CC=CC=C3SCC=C)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)NC3=CC=CC=C3SCC=C)C

InChI

InChI=1S/C20H21N5OS2/c1-4-11-27-17-8-6-5-7-16(17)21-19(26)13-28-20-10-9-18(22-23-20)25-15(3)12-14(2)24-25/h4-10,12H,1,11,13H2,2-3H3,(H,21,26)