5-(tert-butylsulfanylmethyl)-1,2-dihydropyrazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N2OS/c1-8(2,3)12-5-6-4-7(11)10-9-6/h4H,5H2,1-3H3,(H2,9,10,11)