methyl 2-(4-cyano-5,6-diphenyl-pyridazin-3-yl)sulfanylpropanoate

Systemtic Name: methyl 2-(4-cyano-5,6-diphenyl-pyridazin-3-yl)sulfanylpropanoate Openeye Name: methyl 2-(4-cyano-5,6-diphenyl-pyridazin-3-yl)sulfanylpropanoate CAS Name: 2-[(4-cyano-5,6-diphenyl-3-pyridazinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(4-cyano-5,6-diphenylpyridazin-3-yl)sulfanylpropanoate Traditional Name: 2-[(4-cyano-5,6-diphenyl-pyridazin-3-yl)thio]propionic acid methyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(C(=C1C#N)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C(C(=C1C#N)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O2S/c1-14(21(25)26-2)27-20-17(13-22)18(15-9-5-3-6-10-15)19(23-24-20)16-11-7-4-8-12-16/h3-12,14H,1-2H3