2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H26N4OS2 MolecularWeight: 426.59804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C22H26N4OS2/c27-21(23-15-17-8-3-1-4-9-17)16-29-22-25-24-20(14-19-12-7-13-28-19)26(22)18-10-5-2-6-11-18/h1,3-4,7-9,12-13,18H,2,5-6,10-11,14-16H2,(H,23,27)