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

Systemtic Name: ethyl 4-[4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H28N4O3S MolecularWeight: 476.59052

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3S/c1-3-33-26(32)30-16-14-29(15-17-30)25(31)22-10-6-20(7-11-22)18-34-24-13-12-23(27-28-24)21-8-4-19(2)5-9-21/h4-13H,3,14-18H2,1-2H3