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

Systemtic Name: 5-(tert-butylsulfanylmethyl)-4-chloranyl-2-propyl-1H-pyrazol-3-one Openeye Name: 5-(tert-butylsulfanylmethyl)-4-chloro-2-propyl-1H-pyrazol-3-one CAS Name: 5-[(tert-butylthio)methyl]-4-chloro-2-propyl-1H-pyrazol-3-one IUPAC Name: 5-(tert-butylsulfanylmethyl)-4-chloro-2-propyl-1H-pyrazol-3-one Traditional Name: 5-[(tert-butylthio)methyl]-4-chloro-2-propyl-3-pyrazolin-3-one Formula: C11H19ClN2OS MolecularWeight: 262.79936

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(N1)CSC(C)(C)C)Cl

Isomeric SMILES

CCCN1C(=O)C(=C(N1)CSC(C)(C)C)Cl

InChI

InChI=1S/C11H19ClN2OS/c1-5-6-14-10(15)9(12)8(13-14)7-16-11(2,3)4/h13H,5-7H2,1-4H3