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

Systemtic Name: 4-ethyl-3-naphthalen-1-yl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-(1-naphthyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-(1-naphthalenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-naphthalen-1-yl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-(1-naphthyl)-5-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H18N4O2S/c1-2-24-20(19-12-6-9-16-8-3-4-11-18(16)19)22-23-21(24)28-14-15-7-5-10-17(13-15)25(26)27/h3-13H,2,14H2,1H3