2-(4-chlorophenyl)-5-methyl-4-(2-sulfanylethyl)-4H-pyrazol-3-one

Systemtic Name: 2-(4-chlorophenyl)-5-methyl-4-(2-sulfanylethyl)-4H-pyrazol-3-one Openeye Name: 2-(4-chlorophenyl)-5-methyl-4-(2-sulfanylethyl)-4H-pyrazol-3-one CAS Name: 2-(4-chlorophenyl)-4-(2-mercaptoethyl)-5-methyl-4H-pyrazol-3-one IUPAC Name: 2-(4-chlorophenyl)-5-methyl-4-(2-sulfanylethyl)-4H-pyrazol-3-one Traditional Name: 2-(4-chlorophenyl)-4-(2-mercaptoethyl)-5-methyl-2-pyrazolin-3-one Formula: C12H13ClN2OS MolecularWeight: 268.76242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CCS)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NN(C(=O)C1CCS)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN2OS/c1-8-11(6-7-17)12(16)15(14-8)10-4-2-9(13)3-5-10/h2-5,11,17H,6-7H2,1H3