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

Systemtic Name: 2-[[5-(3-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[5-(3-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[[5-(3-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[5-(3-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[5-(3-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C)C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C)C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C21H23N5O2S/c1-4-26-20(16-6-5-7-18(12-16)22-15(3)27)24-25-21(26)29-13-19(28)23-17-10-8-14(2)9-11-17/h5-12H,4,13H2,1-3H3,(H,22,27)(H,23,28)