2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl benzoate

Systemtic Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl benzoate Openeye Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl benzoate CAS Name: benzoic acid 2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]ethyl ester IUPAC Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl benzoate Traditional Name: benzoic acid 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]ethyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCCOC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCCOC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H18N4O2S/c1-13-12-14(2)22(21-13)16-8-9-17(20-19-16)25-11-10-24-18(23)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3