1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-3-(4-phenylphenoxy)propan-2-ol Openeye Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-3-(4-phenylphenoxy)propan-2-ol CAS Name: 1-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-3-(4-phenylphenoxy)propan-2-ol Traditional Name: 1-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-3-(4-phenylphenoxy)propan-2-ol Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(COC3=CC=C(C=C3)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(COC3=CC=C(C=C3)C4=CC=CC=C4)O)C

InChI

InChI=1S/C24H24N4O2S/c1-17-14-18(2)28(27-17)23-12-13-24(26-25-23)31-16-21(29)15-30-22-10-8-20(9-11-22)19-6-4-3-5-7-19/h3-14,21,29H,15-16H2,1-2H3