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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(4-ethoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C21H22N6O5S MolecularWeight: 470.50158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)NC(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)NC(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O5S/c1-4-32-17-8-9-18(19(11-17)27(30)31)23-20(29)12-33-21-25-24-13(2)26(21)16-7-5-6-15(10-16)22-14(3)28/h5-11H,4,12H2,1-3H3,(H,22,28)(H,23,29)