2-[[4-ethyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[4-ethyl-5-(3-methyl-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-])C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-])C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C22H21N5O4S/c1-4-26-21(20-14(3)16-7-5-6-8-18(16)31-20)24-25-22(26)32-12-19(28)23-15-10-9-13(2)17(11-15)27(29)30/h5-11H,4,12H2,1-3H3,(H,23,28)