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

Systemtic Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylbutyl)ethanamide Openeye Name: 2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylbutyl)acetamide CAS Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylbutyl)acetamide IUPAC Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylbutyl)acetamide Traditional Name: 2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylbutyl)acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NN=C(N1C)C2=CC(=CC=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)CSC1=NN=C(N1C)C2=CC(=CC=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-4-17(18-10-6-5-7-11-18)14-23-20(27)15-28-22-25-24-21(26(22)3)19-12-8-9-16(2)13-19/h5-13,17H,4,14-15H2,1-3H3,(H,23,27)