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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(3-phenylpropyl)acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-16-25-26-22(27(16)20-12-6-11-19(14-20)24-17(2)28)30-15-21(29)23-13-7-10-18-8-4-3-5-9-18/h3-6,8-9,11-12,14H,7,10,13,15H2,1-2H3,(H,23,29)(H,24,28)