4-bromanyl-5-(2-methylsulfanyl-5-nitro-phenyl)-1H-pyrazole

Systemtic Name: 4-bromanyl-5-(2-methylsulfanyl-5-nitro-phenyl)-1H-pyrazole Openeye Name: 4-bromo-5-(2-methylsulfanyl-5-nitro-phenyl)-1H-pyrazole CAS Name: 4-bromo-5-[2-(methylthio)-5-nitrophenyl]-1H-pyrazole IUPAC Name: 4-bromo-5-(2-methylsulfanyl-5-nitrophenyl)-1H-pyrazole Traditional Name: 4-bromo-5-[2-(methylthio)-5-nitro-phenyl]-1H-pyrazole Formula: C10H8BrN3O2S MolecularWeight: 314.15842

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)[N+](=O)[O-])C2=C(C=NN2)Br

Isomeric SMILES

CSC1=C(C=C(C=C1)[N+](=O)[O-])C2=C(C=NN2)Br

InChI

InChI=1S/C10H8BrN3O2S/c1-17-9-3-2-6(14(15)16)4-7(9)10-8(11)5-12-13-10/h2-5H,1H3,(H,12,13)