4-phenylsulfanyl-3-propan-2-yl-1,4-dihydropyrazol-5-one

Systemtic Name: 4-phenylsulfanyl-3-propan-2-yl-1,4-dihydropyrazol-5-one Openeye Name: 3-isopropyl-4-phenylsulfanyl-1,4-dihydropyrazol-5-one CAS Name: 4-(phenylthio)-3-propan-2-yl-1,4-dihydropyrazol-5-one IUPAC Name: 4-phenylsulfanyl-3-propan-2-yl-1,4-dihydropyrazol-5-one Traditional Name: 5-isopropyl-4-(phenylthio)-2-pyrazolin-3-one Formula: C12H14N2OS MolecularWeight: 234.31736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=O)C1SC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NNC(=O)C1SC2=CC=CC=C2

InChI

InChI=1S/C12H14N2OS/c1-8(2)10-11(12(15)14-13-10)16-9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,14,15)