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

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenoxyphenyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenoxyphenyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(3-phenoxyphenyl)acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenoxyphenyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(3-phenoxyphenyl)acetamide Formula: C27H28N4O2S2 MolecularWeight: 504.66682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)OC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)OC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C27H28N4O2S2/c32-26(28-20-9-7-14-23(17-20)33-22-12-5-2-6-13-22)19-35-27-30-29-25(18-24-15-8-16-34-24)31(27)21-10-3-1-4-11-21/h2,5-9,12-17,21H,1,3-4,10-11,18-19H2,(H,28,32)