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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=CN1C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN=CN1C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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