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

Systemtic Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide Openeye Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide CAS Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenethylpropanamide IUPAC Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpropanamide Traditional Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenethyl-propionamide Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NNC(=N2)CCC3CCCC3

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C20H28N4OS/c1-15(19(25)21-14-13-17-7-3-2-4-8-17)26-20-22-18(23-24-20)12-11-16-9-5-6-10-16/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H,21,25)(H,22,23,24)