ethyl 4-[2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[6-(2,4,5-trimethylphenyl)-3-pyridazinyl]thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H28N4O3S MolecularWeight: 428.54772

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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=C3C)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC(=C(C=C3C)C)C

InChI

InChI=1S/C22H28N4O3S/c1-5-29-22(28)26-10-8-25(9-11-26)21(27)14-30-20-7-6-19(23-24-20)18-13-16(3)15(2)12-17(18)4/h6-7,12-13H,5,8-11,14H2,1-4H3