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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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