2-[2-(2-chlorophenyl)-3,4-dimethyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[2-(2-chlorophenyl)-3,4-dimethyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[2-(2-chlorophenyl)-3,4-dimethyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[2-(2-chlorophenyl)-3,4-dimethyl-7-pyrazolo[3,4-d]pyridazinyl]thio]-1-phenylethanone IUPAC Name: 2-[2-(2-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[2-(2-chlorophenyl)-3,4-dimethyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]-1-phenyl-ethanone Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3Cl)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3Cl)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H17ClN4OS/c1-13-19-14(2)26(17-11-7-6-10-16(17)22)25-20(19)21(24-23-13)28-12-18(27)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3