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

Systemtic Name: 4-ethyl-3-[(5-methyl-2-nitro-phenyl)methylsulfanyl]-5-naphthalen-1-yl-1,2,4-triazole Openeye Name: 4-ethyl-3-[(5-methyl-2-nitro-phenyl)methylsulfanyl]-5-(1-naphthyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(5-methyl-2-nitrophenyl)methylthio]-5-(1-naphthalenyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(5-methyl-2-nitrophenyl)methylsulfanyl]-5-naphthalen-1-yl-1,2,4-triazole Traditional Name: 4-ethyl-3-[(5-methyl-2-nitro-benzyl)thio]-5-(1-naphthyl)-1,2,4-triazole Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2S/c1-3-25-21(19-10-6-8-16-7-4-5-9-18(16)19)23-24-22(25)29-14-17-13-15(2)11-12-20(17)26(27)28/h4-13H,3,14H2,1-2H3