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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitro-phenyl)ethanone Openeye Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 2-[[5-(2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxy-3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitrophenyl)ethanone Traditional Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxy-3-nitro-phenyl)ethanone Formula: C20H16N4O5S MolecularWeight: 424.42984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC4=CC=CC=C4O3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H16N4O5S/c1-23-19(18-10-13-5-3-4-6-16(13)29-18)21-22-20(23)30-11-15(25)12-7-8-17(28-2)14(9-12)24(26)27/h3-10H,11H2,1-2H3