1-(4-methoxy-3-nitro-phenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methoxy-3-nitro-phenyl)-2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methoxy-3-nitrophenyl)-2-[[5-(3-methyl-2-benzofuranyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methoxy-3-nitrophenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methoxy-3-nitro-phenyl)-2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H20N4O5S MolecularWeight: 500.5258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC(=C(C=C5)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC(=C(C=C5)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H20N4O5S/c1-16-19-10-6-7-11-22(19)35-24(16)25-27-28-26(29(25)18-8-4-3-5-9-18)36-15-21(31)17-12-13-23(34-2)20(14-17)30(32)33/h3-14H,15H2,1-2H3