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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3=C(C4=CC=CC=C4O3)C

InChI

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