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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)NC(=O)CSC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)NC(=O)CSC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C22H25N5O2S/c1-15(2)21(17-8-5-4-6-9-17)25-20(29)13-30-22-26-23-14-27(22)19-11-7-10-18(12-19)24-16(3)28/h4-12,14-15,21H,13H2,1-3H3,(H,24,28)(H,25,29)