ethyl 2-(4-cyano-5,6-diphenyl-pyridazin-3-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(4-cyano-5,6-diphenyl-pyridazin-3-yl)sulfanylethanoate Openeye Name: ethyl 2-(4-cyano-5,6-diphenyl-pyridazin-3-yl)sulfanylacetate CAS Name: 2-[(4-cyano-5,6-diphenyl-3-pyridazinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-cyano-5,6-diphenylpyridazin-3-yl)sulfanylacetate Traditional Name: 2-[(4-cyano-5,6-diphenyl-pyridazin-3-yl)thio]acetic acid ethyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(C(=C1C#N)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(C(=C1C#N)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O2S/c1-2-26-18(25)14-27-21-17(13-22)19(15-9-5-3-6-10-15)20(23-24-21)16-11-7-4-8-12-16/h3-12H,2,14H2,1H3