methyl 4-[(6-pyridin-4-ylpyridazin-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(6-pyridin-4-ylpyridazin-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[[6-(4-pyridyl)pyridazin-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[(6-pyridin-4-yl-3-pyridazinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-pyridin-4-ylpyridazin-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[6-(4-pyridyl)pyridazin-3-yl]thio]methyl]benzoic acid methyl ester Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S/c1-23-18(22)15-4-2-13(3-5-15)12-24-17-7-6-16(20-21-17)14-8-10-19-11-9-14/h2-11H,12H2,1H3