N-[2-(4-bromanylphenoxy)ethyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: N-[2-(4-bromanylphenoxy)ethyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-methyl-ethanamide Openeye Name: N-[2-(4-bromophenoxy)ethyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-methyl-acetamide CAS Name: N-[2-(4-bromophenoxy)ethyl]-2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-N-methylacetamide IUPAC Name: N-[2-(4-bromophenoxy)ethyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-methylacetamide Traditional Name: N-[2-(4-bromophenoxy)ethyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-N-methyl-acetamide Formula: C20H22BrN5O2S MolecularWeight: 476.38998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N(C)CCOC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N(C)CCOC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C20H22BrN5O2S/c1-14-12-15(2)26(24-14)18-8-9-19(23-22-18)29-13-20(27)25(3)10-11-28-17-6-4-16(21)5-7-17/h4-9,12H,10-11,13H2,1-3H3