(phenylmethyl) 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylethanoate Openeye Name: benzyl 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetate CAS Name: 2-[[6-[4-(1-pyrazolyl)phenyl]-3-pyridazinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetate Traditional Name: 2-[[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]thio]acetic acid benzyl ester Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O2S/c27-22(28-15-17-5-2-1-3-6-17)16-29-21-12-11-20(24-25-21)18-7-9-19(10-8-18)26-14-4-13-23-26/h1-14H,15-16H2