ethyl 3-(cyanomethylsulfanyl)-5,6-diphenyl-pyridazine-4-carboxylate

Systemtic Name: ethyl 3-(cyanomethylsulfanyl)-5,6-diphenyl-pyridazine-4-carboxylate Openeye Name: ethyl 3-(cyanomethylsulfanyl)-5,6-diphenyl-pyridazine-4-carboxylate CAS Name: 3-(cyanomethylthio)-5,6-diphenyl-4-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(cyanomethylsulfanyl)-5,6-diphenylpyridazine-4-carboxylate Traditional Name: 3-(cyanomethylthio)-5,6-diphenyl-pyridazine-4-carboxylic acid ethyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN=C1SCC#N)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=NN=C1SCC#N)C2=CC=CC=C2)C3=CC=CC=C3

InChI

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