N-[(3-bromophenyl)methyl]-2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3-bromophenyl)methyl]-2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide Openeye Name: N-[(3-bromophenyl)methyl]-2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-acetamide CAS Name: N-[(3-bromophenyl)methyl]-2-[(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]acetamide IUPAC Name: N-[(3-bromophenyl)methyl]-2-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetamide Traditional Name: N-(3-bromobenzyl)-2-[(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]acetamide Formula: C22H20BrN5OS MolecularWeight: 482.3961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)SCC(=O)NCC4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)SCC(=O)NCC4=CC(=CC=C4)Br)C

InChI

InChI=1S/C22H20BrN5OS/c1-14-20-15(2)28(18-9-4-3-5-10-18)27-21(20)22(26-25-14)30-13-19(29)24-12-16-7-6-8-17(23)11-16/h3-11H,12-13H2,1-2H3,(H,24,29)