2-butan-2-yl-5-(tert-butylsulfanylmethyl)-4-chloranyl-1H-pyrazol-3-one

Systemtic Name: 2-butan-2-yl-5-(tert-butylsulfanylmethyl)-4-chloranyl-1H-pyrazol-3-one Openeye Name: 5-(tert-butylsulfanylmethyl)-4-chloro-2-sec-butyl-1H-pyrazol-3-one CAS Name: 2-butan-2-yl-5-[(tert-butylthio)methyl]-4-chloro-1H-pyrazol-3-one IUPAC Name: 2-butan-2-yl-5-(tert-butylsulfanylmethyl)-4-chloro-1H-pyrazol-3-one Traditional Name: 5-[(tert-butylthio)methyl]-4-chloro-2-sec-butyl-3-pyrazolin-3-one Formula: C12H21ClN2OS MolecularWeight: 276.82594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=C(N1)CSC(C)(C)C)Cl

Isomeric SMILES

CCC(C)N1C(=O)C(=C(N1)CSC(C)(C)C)Cl

InChI

InChI=1S/C12H21ClN2OS/c1-6-8(2)15-11(16)10(13)9(14-15)7-17-12(3,4)5/h8,14H,6-7H2,1-5H3