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

Systemtic Name: 5-ethyl-3-methylsulfanyl-1-(4-nitrophenyl)-1,2,4-triazole Openeye Name: 5-ethyl-3-methylsulfanyl-1-(4-nitrophenyl)-1,2,4-triazole CAS Name: 5-ethyl-3-(methylthio)-1-(4-nitrophenyl)-1,2,4-triazole IUPAC Name: 5-ethyl-3-methylsulfanyl-1-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 5-ethyl-3-(methylthio)-1-(4-nitrophenyl)-1,2,4-triazole Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])SC

Isomeric SMILES

CCC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C11H12N4O2S/c1-3-10-12-11(18-2)13-14(10)8-4-6-9(7-5-8)15(16)17/h4-7H,3H2,1-2H3