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

Systemtic Name: 5-[[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanylmethyl]-1,2-dimethyl-pyrazol-3-one Openeye Name: 5-[(2,4-dichloro-5-methyl-phenyl)sulfanylmethyl]-1,2-dimethyl-pyrazol-3-one CAS Name: 5-[[(2,4-dichloro-5-methylphenyl)thio]methyl]-1,2-dimethyl-3-pyrazolone IUPAC Name: 5-[(2,4-dichloro-5-methylphenyl)sulfanylmethyl]-1,2-dimethylpyrazol-3-one Traditional Name: 5-[[(2,4-dichloro-5-methyl-phenyl)thio]methyl]-1,2-dimethyl-3-pyrazolin-3-one Formula: C13H14Cl2N2OS MolecularWeight: 317.23406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)Cl)SCC2=CC(=O)N(N2C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)Cl)SCC2=CC(=O)N(N2C)C

InChI

InChI=1S/C13H14Cl2N2OS/c1-8-4-12(11(15)6-10(8)14)19-7-9-5-13(18)17(3)16(9)2/h4-6H,7H2,1-3H3