1-(3-tert-butyl-5-methylsulfanyl-pyrazol-1-yl)-2,3,3-tris(chloranyl)prop-2-en-1-one

Systemtic Name: 1-(3-tert-butyl-5-methylsulfanyl-pyrazol-1-yl)-2,3,3-tris(chloranyl)prop-2-en-1-one Openeye Name: 1-(3-tert-butyl-5-methylsulfanyl-pyrazol-1-yl)-2,3,3-trichloro-prop-2-en-1-one CAS Name: 1-[3-tert-butyl-5-(methylthio)-1-pyrazolyl]-2,3,3-trichloro-2-propen-1-one IUPAC Name: 1-(3-tert-butyl-5-methylsulfanylpyrazol-1-yl)-2,3,3-trichloroprop-2-en-1-one Traditional Name: 1-[3-tert-butyl-5-(methylthio)pyrazol-1-yl]-2,3,3-trichloro-prop-2-en-1-one Formula: C11H13Cl3N2OS MolecularWeight: 327.65772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)SC)C(=O)C(=C(Cl)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)SC)C(=O)C(=C(Cl)Cl)Cl

InChI

InChI=1S/C11H13Cl3N2OS/c1-11(2,3)6-5-7(18-4)16(15-6)10(17)8(12)9(13)14/h5H,1-4H3