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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=C(N1)CSC(C)(C)C)Cl

Isomeric SMILES

CC(C)CN1C(=O)C(=C(N1)CSC(C)(C)C)Cl

InChI

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