ethyl 4-[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[6-(4-phenylphenyl)-3-pyridazinyl]thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[6-(4-phenylphenyl)pyridazin-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3S/c1-2-32-25(31)29-16-14-28(15-17-29)24(30)18-33-23-13-12-22(26-27-23)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-13H,2,14-18H2,1H3