4-chloranyl-5-[4-[2-(4-ethoxyphenyl)sulfanylethanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-[2-(4-ethoxyphenyl)sulfanylethanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-[2-(4-ethoxyphenyl)sulfanylacetyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[2-[(4-ethoxyphenyl)thio]-1-oxoethyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[2-(4-ethoxyphenyl)sulfanylacetyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[2-(p-phenetylthio)acetyl]piperazino]pyridazin-3-one Formula: C24H25ClN4O3S MolecularWeight: 484.9983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H25ClN4O3S/c1-2-32-19-8-10-20(11-9-19)33-17-22(30)28-14-12-27(13-15-28)21-16-26-29(24(31)23(21)25)18-6-4-3-5-7-18/h3-11,16H,2,12-15,17H2,1H3