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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C(C)C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C(C)C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H21N5O4S/c1-13(2)26-21(19-11-15-6-4-5-7-18(15)31-19)24-25-22(26)32-12-20(28)23-17-9-8-16(27(29)30)10-14(17)3/h4-11,13H,12H2,1-3H3,(H,23,28)