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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[[5-(2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C19H14N4O4S MolecularWeight: 394.40386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O4S/c1-22-18(17-10-13-5-2-3-8-16(13)27-17)20-21-19(22)28-11-15(24)12-6-4-7-14(9-12)23(25)26/h2-10H,11H2,1H3