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

Systemtic Name: 2-[[4-ethyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)butanamide Openeye Name: 2-[[4-ethyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)butanamide CAS Name: 2-[[4-ethyl-5-(3-methyl-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)butanamide IUPAC Name: 2-[[4-ethyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)butanamide Traditional Name: 2-[[4-ethyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)butyramide Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2CC)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2CC)C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C23H23N5O4S/c1-4-19(22(29)24-15-10-12-16(13-11-15)28(30)31)33-23-26-25-21(27(23)5-2)20-14(3)17-8-6-7-9-18(17)32-20/h6-13,19H,4-5H2,1-3H3,(H,24,29)