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

Systemtic Name: 4-ethyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(p-tolyl)-1,2,4-triazole CAS Name: 4-ethyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-[(4-nitrobenzyl)thio]-5-(p-tolyl)-1,2,4-triazole Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2S/c1-3-21-17(15-8-4-13(2)5-9-15)19-20-18(21)25-12-14-6-10-16(11-7-14)22(23)24/h4-11H,3,12H2,1-2H3