5-ethyl-3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-ethyl-3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-ethyl-3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-ethyl-3-[(4-methoxy-3-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-ethyl-3-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-ethyl-3-[(4-methoxy-3-nitro-benzyl)thio]-1H-1,2,4-triazole Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O3S/c1-3-11-13-12(15-14-11)20-7-8-4-5-10(19-2)9(6-8)16(17)18/h4-6H,3,7H2,1-2H3,(H,13,14,15)