5-(butan-2-ylsulfanylmethyl)-2-phenyl-1H-pyrazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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