methyl 4-(4-cyano-6-phenyl-pyridazin-3-yl)sulfanylbenzoate

Systemtic Name: methyl 4-(4-cyano-6-phenyl-pyridazin-3-yl)sulfanylbenzoate Openeye Name: methyl 4-(4-cyano-6-phenyl-pyridazin-3-yl)sulfanylbenzoate CAS Name: 4-[(4-cyano-6-phenyl-3-pyridazinyl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-(4-cyano-6-phenylpyridazin-3-yl)sulfanylbenzoate Traditional Name: 4-[(4-cyano-6-phenyl-pyridazin-3-yl)thio]benzoic acid methyl ester Formula: C19H13N3O2S MolecularWeight: 347.39042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC2=NN=C(C=C2C#N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC2=NN=C(C=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C19H13N3O2S/c1-24-19(23)14-7-9-16(10-8-14)25-18-15(12-20)11-17(21-22-18)13-5-3-2-4-6-13/h2-11H,1H3