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

Systemtic Name: 4-chloranyl-5-[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-(2-chloro-5-methylsulfanyl-benzoyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-[2-chloro-5-(methylthio)benzoyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C22H20Cl2N4O2S MolecularWeight: 475.3908

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H20Cl2N4O2S/c1-31-16-7-8-18(23)17(13-16)21(29)27-11-9-26(10-12-27)19-14-25-28(22(30)20(19)24)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3