3-[[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanylmethyl]-1,4-dihydropyrazol-5-one

Systemtic Name: 3-[[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanylmethyl]-1,4-dihydropyrazol-5-one Openeye Name: 3-[(2,4-dichloro-5-methyl-phenyl)sulfanylmethyl]-1,4-dihydropyrazol-5-one CAS Name: 3-[[(2,4-dichloro-5-methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one IUPAC Name: 3-[(2,4-dichloro-5-methylphenyl)sulfanylmethyl]-1,4-dihydropyrazol-5-one Traditional Name: 5-[[(2,4-dichloro-5-methyl-phenyl)thio]methyl]-2-pyrazolin-3-one Formula: C11H10Cl2N2OS MolecularWeight: 289.1809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)Cl)SCC2=NNC(=O)C2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)Cl)SCC2=NNC(=O)C2

InChI

InChI=1S/C11H10Cl2N2OS/c1-6-2-10(9(13)4-8(6)12)17-5-7-3-11(16)15-14-7/h2,4H,3,5H2,1H3,(H,15,16)