N-tert-butyl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NNC(=N2)CC3CCCC3

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NNC(=N2)CC3CCCC3

InChI

InChI=1S/C21H30N4OS/c1-21(2,3)25(14-17-11-5-4-6-12-17)19(26)15-27-20-22-18(23-24-20)13-16-9-7-8-10-16/h4-6,11-12,16H,7-10,13-15H2,1-3H3,(H,22,23,24)