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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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