S-(4-bromophenyl) 1,5-dimethyl-4-nitro-pyrazole-3-carbothioate

Systemtic Name: S-(4-bromophenyl) 1,5-dimethyl-4-nitro-pyrazole-3-carbothioate Openeye Name: S-(4-bromophenyl) 1,5-dimethyl-4-nitro-pyrazole-3-carbothioate CAS Name: 1,5-dimethyl-4-nitro-3-pyrazolecarbothioic acid S-(4-bromophenyl) ester IUPAC Name: S-(4-bromophenyl) 1,5-dimethyl-4-nitropyrazole-3-carbothioate Traditional Name: 1,5-dimethyl-4-nitro-pyrazole-3-carbothioic acid S-(4-bromophenyl) ester Formula: C12H10BrN3O3S MolecularWeight: 356.1951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H10BrN3O3S/c1-7-11(16(18)19)10(14-15(7)2)12(17)20-9-5-3-8(13)4-6-9/h3-6H,1-2H3