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

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylpropyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-[2-(4-chlorophenyl)sulfanylpropyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-[2-[(4-chlorophenyl)thio]propyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylpropyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-[2-[(4-chlorophenyl)thio]propyl]-5-methyl-3-pyrazolin-3-one Formula: C13H15ClN2OS MolecularWeight: 282.789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2OS/c1-9-7-13(17)16(15-9)8-10(2)18-12-5-3-11(14)4-6-12/h3-7,10,15H,8H2,1-2H3