4-chloranyl-5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[4-(methylthio)phenyl]sulfonyl-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-[4-(methylthio)phenyl]sulfonylpiperazino]-2-phenyl-pyridazin-3-one Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S2/c1-30-17-7-9-18(10-8-17)31(28,29)25-13-11-24(12-14-25)19-15-23-26(21(27)20(19)22)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3