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

Systemtic Name: 2-[[4-methyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[[4-methyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[[4-methyl-5-(3-methyl-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[[4-methyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[[4-methyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C21H19N5O4S/c1-12-10-14(26(28)29)8-9-16(12)22-18(27)11-31-21-24-23-20(25(21)3)19-13(2)15-6-4-5-7-17(15)30-19/h4-10H,11H2,1-3H3,(H,22,27)