5-[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]-4-methyl-2-phenyl-pyridazin-3-one

Systemtic Name: 5-[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]-4-methyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-(2-chloro-5-methylsulfanyl-benzoyl)piperazin-1-yl]-4-methyl-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]-4-methyl-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-yl]-4-methyl-2-phenylpyridazin-3-one Traditional Name: 5-[4-[2-chloro-5-(methylthio)benzoyl]piperazino]-4-methyl-2-phenyl-pyridazin-3-one Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN(C1=O)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)SC)Cl

Isomeric SMILES

CC1=C(C=NN(C1=O)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)SC)Cl

InChI

InChI=1S/C23H23ClN4O2S/c1-16-21(15-25-28(22(16)29)17-6-4-3-5-7-17)26-10-12-27(13-11-26)23(30)19-14-18(31-2)8-9-20(19)24/h3-9,14-15H,10-13H2,1-2H3