S-(3-bromophenyl) 2-ethyl-5-methyl-4-nitro-pyrazole-3-carbothioate

Systemtic Name: S-(3-bromophenyl) 2-ethyl-5-methyl-4-nitro-pyrazole-3-carbothioate Openeye Name: S-(3-bromophenyl) 2-ethyl-5-methyl-4-nitro-pyrazole-3-carbothioate CAS Name: 2-ethyl-5-methyl-4-nitro-3-pyrazolecarbothioic acid S-(3-bromophenyl) ester IUPAC Name: S-(3-bromophenyl) 2-ethyl-5-methyl-4-nitropyrazole-3-carbothioate Traditional Name: 2-ethyl-5-methyl-4-nitro-pyrazole-3-carbothioic acid S-(3-bromophenyl) ester Formula: C13H12BrN3O3S MolecularWeight: 370.22168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)[N+](=O)[O-])C(=O)SC2=CC(=CC=C2)Br

Isomeric SMILES

CCN1C(=C(C(=N1)C)[N+](=O)[O-])C(=O)SC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H12BrN3O3S/c1-3-16-12(11(17(19)20)8(2)15-16)13(18)21-10-6-4-5-9(14)7-10/h4-7H,3H2,1-2H3