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

Systemtic Name: 4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-ethyl-3-[(3-nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-ethyl-3-[(3-nitrobenzyl)thio]-5-phenyl-1,2,4-triazole Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c1-2-20-16(14-8-4-3-5-9-14)18-19-17(20)24-12-13-7-6-10-15(11-13)21(22)23/h3-11H,2,12H2,1H3