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

Systemtic Name: 3-[(4-chloranyl-2,5-dimethyl-phenyl)sulfanylmethyl]-1,4-dihydropyrazol-5-one Openeye Name: 3-[(4-chloro-2,5-dimethyl-phenyl)sulfanylmethyl]-1,4-dihydropyrazol-5-one CAS Name: 3-[[(4-chloro-2,5-dimethylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one IUPAC Name: 3-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-1,4-dihydropyrazol-5-one Traditional Name: 5-[[(4-chloro-2,5-dimethyl-phenyl)thio]methyl]-2-pyrazolin-3-one Formula: C12H13ClN2OS MolecularWeight: 268.76242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2OS/c1-7-4-11(8(2)3-10(7)13)17-6-9-5-12(16)15-14-9/h3-4H,5-6H2,1-2H3,(H,15,16)