5-nitro-3-phenylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-nitro-3-phenylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-nitro-3-phenylsulfanyl-1H-1,2,4-triazole CAS Name: 5-nitro-3-(phenylthio)-1H-1,2,4-triazole IUPAC Name: 5-nitro-3-phenylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-nitro-3-(phenylthio)-1H-1,2,4-triazole Formula: C8H6N4O2S MolecularWeight: 222.22384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NNC(=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=NNC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C8H6N4O2S/c13-12(14)7-9-8(11-10-7)15-6-4-2-1-3-5-6/h1-5H,(H,9,10,11)