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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(N1)CSC(C)(C)C)Cl

Isomeric SMILES

CCCCN1C(=O)C(=C(N1)CSC(C)(C)C)Cl

InChI

InChI=1S/C12H21ClN2OS/c1-5-6-7-15-11(16)10(13)9(14-15)8-17-12(2,3)4/h14H,5-8H2,1-4H3