2-[2-(3,4-dichlorophenyl)sulfanylpropyl]-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-[2-(3,4-dichlorophenyl)sulfanylpropyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-[2-(3,4-dichlorophenyl)sulfanylpropyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-[2-[(3,4-dichlorophenyl)thio]propyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-[2-(3,4-dichlorophenyl)sulfanylpropyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-[2-[(3,4-dichlorophenyl)thio]propyl]-5-methyl-3-pyrazolin-3-one Formula: C13H14Cl2N2OS MolecularWeight: 317.23406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)CC(C)SC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=CC(=O)N(N1)CC(C)SC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H14Cl2N2OS/c1-8-5-13(18)17(16-8)7-9(2)19-10-3-4-11(14)12(15)6-10/h3-6,9,16H,7H2,1-2H3