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

Systemtic Name: ethyl 4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[3-[[(6-phenyl-3-pyridazinyl)thio]methyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[(6-phenylpyridazin-3-yl)thio]methyl]benzoyl]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)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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