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

Systemtic Name: 3-(2-methylpropyl)-4-phenylsulfanyl-1,4-dihydropyrazol-5-one Openeye Name: 3-isobutyl-4-phenylsulfanyl-1,4-dihydropyrazol-5-one CAS Name: 3-(2-methylpropyl)-4-(phenylthio)-1,4-dihydropyrazol-5-one IUPAC Name: 3-(2-methylpropyl)-4-phenylsulfanyl-1,4-dihydropyrazol-5-one Traditional Name: 5-isobutyl-4-(phenylthio)-2-pyrazolin-3-one Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2OS/c1-9(2)8-11-12(13(16)15-14-11)17-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,15,16)