5-(butan-2-ylsulfanylmethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(butan-2-ylsulfanylmethyl)-1,2-dihydropyrazol-3-one Openeye Name: 5-(sec-butylsulfanylmethyl)-1,2-dihydropyrazol-3-one CAS Name: 5-[(butan-2-ylthio)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-(butan-2-ylsulfanylmethyl)-1,2-dihydropyrazol-3-one Traditional Name: 5-[(sec-butylthio)methyl]-3-pyrazolin-3-one Formula: C8H14N2OS MolecularWeight: 186.27456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=CC(=O)NN1

Isomeric SMILES

CCC(C)SCC1=CC(=O)NN1

InChI

InChI=1S/C8H14N2OS/c1-3-6(2)12-5-7-4-8(11)10-9-7/h4,6H,3,5H2,1-2H3,(H2,9,10,11)