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

Systemtic Name: 1-[2-(3-methoxyphenyl)-3,4-diphenyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylpropan-2-one Openeye Name: 1-[2-(3-methoxyphenyl)-3,4-diphenyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylpropan-2-one CAS Name: 1-[[2-(3-methoxyphenyl)-3,4-diphenyl-7-pyrazolo[3,4-d]pyridazinyl]thio]-2-propanone IUPAC Name: 1-[2-(3-methoxyphenyl)-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylpropan-2-one Traditional Name: 1-[[2-(3-methoxyphenyl)-3,4-diphenyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]acetone Formula: C27H22N4O2S MolecularWeight: 466.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(C2=C(N(N=C21)C3=CC(=CC=C3)OC)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)CSC1=NN=C(C2=C(N(N=C21)C3=CC(=CC=C3)OC)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O2S/c1-18(32)17-34-27-25-23(24(28-29-27)19-10-5-3-6-11-19)26(20-12-7-4-8-13-20)31(30-25)21-14-9-15-22(16-21)33-2/h3-16H,17H2,1-2H3