1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylpropan-2-one

Systemtic Name: 1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylpropan-2-one Openeye Name: 1-[3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylpropan-2-one CAS Name: 1-[[3,4-dimethyl-2-(4-methylphenyl)-7-pyrazolo[3,4-d]pyridazinyl]thio]-2-propanone IUPAC Name: 1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylpropan-2-one Traditional Name: 1-[[3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]acetone Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCC(=O)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCC(=O)C)C)C

InChI

InChI=1S/C17H18N4OS/c1-10-5-7-14(8-6-10)21-13(4)15-12(3)18-19-17(16(15)20-21)23-9-11(2)22/h5-8H,9H2,1-4H3