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

Systemtic Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazol-3-one Openeye Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazol-3-one CAS Name: 5-[[(4-chlorophenyl)thio]methyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 5-[[(4-chlorophenyl)thio]methyl]-2-methyl-3-pyrazolin-3-one Formula: C11H11ClN2OS MolecularWeight: 254.73584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N1)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=O)C=C(N1)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H11ClN2OS/c1-14-11(15)6-9(13-14)7-16-10-4-2-8(12)3-5-10/h2-6,13H,7H2,1H3