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

Systemtic Name: 4-ethyl-3-(3-methyl-1-benzofuran-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-(3-methylbenzofuran-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-(3-methyl-2-benzofuranyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(3-methyl-1-benzofuran-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-(3-methylbenzofuran-2-yl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C20H18N4O3S/c1-3-23-19(18-13(2)16-6-4-5-7-17(16)27-18)21-22-20(23)28-12-14-8-10-15(11-9-14)24(25)26/h4-11H,3,12H2,1-2H3