3-(1-benzofuran-2-yl)-5-[(2-ethoxy-5-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1-benzofuran-2-yl)-5-[(2-ethoxy-5-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(benzofuran-2-yl)-5-[(2-ethoxy-5-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-5-[(2-ethoxy-5-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-5-[(2-ethoxy-5-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(benzofuran-2-yl)-5-[(2-ethoxy-5-nitro-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CCOC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H20N4O4S/c1-2-32-21-13-12-20(29(30)31)14-18(21)16-34-25-27-26-24(28(25)19-9-4-3-5-10-19)23-15-17-8-6-7-11-22(17)33-23/h3-15H,2,16H2,1H3