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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4O2S/c1-31-16-17-7-9-18(10-8-17)22(29)27-13-11-26(12-14-27)20-15-25-28(23(30)21(20)24)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3