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

Systemtic Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-acetylphenyl)acetamide CAS Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-acetylphenyl)acetamide IUPAC Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-acetylphenyl)acetamide Traditional Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-acetylphenyl)acetamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C21H21N5O3S/c1-13(27)15-7-9-17(10-8-15)23-19(29)12-30-21-25-24-20(26(21)3)16-5-4-6-18(11-16)22-14(2)28/h4-11H,12H2,1-3H3,(H,22,28)(H,23,29)