5-(4-ethylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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