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

Systemtic Name: 5-[(4-chloranyl-2,5-dimethyl-phenyl)sulfanylmethyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[(4-chloro-2,5-dimethyl-phenyl)sulfanylmethyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[[(4-chloro-2,5-dimethylphenyl)thio]methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[[(4-chloro-2,5-dimethyl-phenyl)thio]methyl]-3-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=CC(=O)NN2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)SCC2=CC(=O)NN2

InChI

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