4-(4-chlorophenyl)sulfanyl-3-(2-methylpropyl)-1,4-dihydropyrazol-5-one

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-3-(2-methylpropyl)-1,4-dihydropyrazol-5-one Openeye Name: 4-(4-chlorophenyl)sulfanyl-3-isobutyl-1,4-dihydropyrazol-5-one CAS Name: 4-[(4-chlorophenyl)thio]-3-(2-methylpropyl)-1,4-dihydropyrazol-5-one IUPAC Name: 4-(4-chlorophenyl)sulfanyl-3-(2-methylpropyl)-1,4-dihydropyrazol-5-one Traditional Name: 4-[(4-chlorophenyl)thio]-5-isobutyl-2-pyrazolin-3-one Formula: C13H15ClN2OS MolecularWeight: 282.789

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=O)C1SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC1=NNC(=O)C1SC2=CC=C(C=C2)Cl

InChI

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