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

Systemtic Name: 4-chloranyl-5-[4-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-[2-(m-tolylmethylsulfanyl)acetyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[2-[(3-methylphenyl)methylthio]-1-oxoethyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[2-[(3-methylphenyl)methylsulfanyl]acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-[2-[(3-methylbenzyl)thio]acetyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C24H25ClN4O2S MolecularWeight: 468.9989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O2S/c1-18-6-5-7-19(14-18)16-32-17-22(30)28-12-10-27(11-13-28)21-15-26-29(24(31)23(21)25)20-8-3-2-4-9-20/h2-9,14-15H,10-13,16-17H2,1H3