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

Systemtic Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylbutyl)ethanamide Openeye Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylbutyl)acetamide CAS Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-phenylbutyl)acetamide IUPAC Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylbutyl)acetamide Traditional Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-phenylbutyl)acetamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NNC(=N1)CCC2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)CSC1=NNC(=N1)CCC2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H30N4OS/c1-2-17(18-10-4-3-5-11-18)14-22-20(26)15-27-21-23-19(24-25-21)13-12-16-8-6-7-9-16/h3-5,10-11,16-17H,2,6-9,12-15H2,1H3,(H,22,26)(H,23,24,25)