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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

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