5-(tert-butylsulfanylmethyl)-4-chloranyl-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(tert-butylsulfanylmethyl)-4-chloranyl-1,2-dihydropyrazol-3-one Openeye Name: 5-(tert-butylsulfanylmethyl)-4-chloro-1,2-dihydropyrazol-3-one CAS Name: 5-[(tert-butylthio)methyl]-4-chloro-1,2-dihydropyrazol-3-one IUPAC Name: 5-(tert-butylsulfanylmethyl)-4-chloro-1,2-dihydropyrazol-3-one Traditional Name: 5-[(tert-butylthio)methyl]-4-chloro-3-pyrazolin-3-one Formula: C8H13ClN2OS MolecularWeight: 220.71962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13ClN2OS/c1-8(2,3)13-4-5-6(9)7(12)11-10-5/h4H2,1-3H3,(H2,10,11,12)