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

Systemtic Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylbutyl)propanamide Openeye Name: 2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylbutyl)propanamide CAS Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylbutyl)propanamide IUPAC Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylbutyl)propanamide Traditional Name: 2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylbutyl)propionamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)SC1=NN=C(N1C)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)C(C)SC1=NN=C(N1C)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4OS/c1-5-18(19-9-7-6-8-10-19)15-24-22(28)17(3)29-23-26-25-21(27(23)4)20-13-11-16(2)12-14-20/h6-14,17-18H,5,15H2,1-4H3,(H,24,28)