S-(3-bromophenyl) 1-tert-butyl-5-methyl-pyrazole-3-carbothioate

Systemtic Name: S-(3-bromophenyl) 1-tert-butyl-5-methyl-pyrazole-3-carbothioate Openeye Name: S-(3-bromophenyl) 1-tert-butyl-5-methyl-pyrazole-3-carbothioate CAS Name: 1-tert-butyl-5-methyl-3-pyrazolecarbothioic acid S-(3-bromophenyl) ester IUPAC Name: S-(3-bromophenyl) 1-tert-butyl-5-methylpyrazole-3-carbothioate Traditional Name: 1-tert-butyl-5-methyl-pyrazole-3-carbothioic acid S-(3-bromophenyl) ester Formula: C15H17BrN2OS MolecularWeight: 353.27728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)(C)C)C(=O)SC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=CC(=NN1C(C)(C)C)C(=O)SC2=CC(=CC=C2)Br

InChI

InChI=1S/C15H17BrN2OS/c1-10-8-13(17-18(10)15(2,3)4)14(19)20-12-7-5-6-11(16)9-12/h5-9H,1-4H3