5-(tert-butylsulfanylmethyl)-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-(tert-butylsulfanylmethyl)-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-(tert-butylsulfanylmethyl)-2-phenyl-1H-pyrazol-3-one CAS Name: 5-[(tert-butylthio)methyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-(tert-butylsulfanylmethyl)-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-[(tert-butylthio)methyl]-2-phenyl-3-pyrazolin-3-one Formula: C14H18N2OS MolecularWeight: 262.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=CC(=O)N(N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)SCC1=CC(=O)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2OS/c1-14(2,3)18-10-11-9-13(17)16(15-11)12-7-5-4-6-8-12/h4-9,15H,10H2,1-3H3