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

Systemtic Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)butanamide Openeye Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-acetylphenyl)butanamide CAS Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-acetylphenyl)butanamide IUPAC Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-acetylphenyl)butanamide Traditional Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-acetylphenyl)butyramide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C)C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C)C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C23H25N5O3S/c1-5-20(22(31)25-18-11-9-16(10-12-18)14(2)29)32-23-27-26-21(28(23)4)17-7-6-8-19(13-17)24-15(3)30/h6-13,20H,5H2,1-4H3,(H,24,30)(H,25,31)