5-(5-nitro-2-phenylsulfanyl-phenyl)-1H-pyrazole

Systemtic Name: 5-(5-nitro-2-phenylsulfanyl-phenyl)-1H-pyrazole Openeye Name: 5-(5-nitro-2-phenylsulfanyl-phenyl)-1H-pyrazole CAS Name: 5-[5-nitro-2-(phenylthio)phenyl]-1H-pyrazole IUPAC Name: 5-(5-nitro-2-phenylsulfanylphenyl)-1H-pyrazole Traditional Name: 5-[5-nitro-2-(phenylthio)phenyl]-1H-pyrazole Formula: C15H11N3O2S MolecularWeight: 297.33174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=NN3

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=NN3

InChI

InChI=1S/C15H11N3O2S/c19-18(20)11-6-7-15(21-12-4-2-1-3-5-12)13(10-11)14-8-9-16-17-14/h1-10H,(H,16,17)