ethyl 4-[4-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[[6-(4-fluorophenyl)-3-pyridazinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[[6-(4-fluorophenyl)pyridazin-3-yl]thio]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H25FN4O3S MolecularWeight: 480.554403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN4O3S/c1-2-33-25(32)30-15-13-29(14-16-30)24(31)20-5-3-18(4-6-20)17-34-23-12-11-22(27-28-23)19-7-9-21(26)10-8-19/h3-12H,2,13-17H2,1H3