1-(4-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(p-tolyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(4-methylphenyl)-2-[[6-[4-(1-pyrazolyl)phenyl]-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(p-tolyl)-2-[[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]thio]ethanone Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H18N4OS/c1-16-3-5-18(6-4-16)21(27)15-28-22-12-11-20(24-25-22)17-7-9-19(10-8-17)26-14-2-13-23-26/h2-14H,15H2,1H3