S-(3-bromophenyl) 5-tert-butyl-2-methyl-pyrazole-3-carbothioate

Systemtic Name: S-(3-bromophenyl) 5-tert-butyl-2-methyl-pyrazole-3-carbothioate Openeye Name: S-(3-bromophenyl) 5-tert-butyl-2-methyl-pyrazole-3-carbothioate CAS Name: 5-tert-butyl-2-methyl-3-pyrazolecarbothioic acid S-(3-bromophenyl) ester IUPAC Name: S-(3-bromophenyl) 5-tert-butyl-2-methylpyrazole-3-carbothioate Traditional Name: 5-tert-butyl-2-methyl-pyrazole-3-carbothioic acid S-(3-bromophenyl) ester Formula: C15H17BrN2OS MolecularWeight: 353.27728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)SC2=CC(=CC=C2)Br)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)SC2=CC(=CC=C2)Br)C

InChI

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