3-methylsulfanyl-5-(4-nitrophenyl)-1H-1,2,4-triazole

Systemtic Name: 3-methylsulfanyl-5-(4-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 3-methylsulfanyl-5-(4-nitrophenyl)-1H-1,2,4-triazole CAS Name: 3-(methylthio)-5-(4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 3-methylsulfanyl-5-(4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 3-(methylthio)-5-(4-nitrophenyl)-1H-1,2,4-triazole Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=NNC(=N1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O2S/c1-16-9-10-8(11-12-9)6-2-4-7(5-3-6)13(14)15/h2-5H,1H3,(H,10,11,12)