2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: N-benzyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C27H28N4OS MolecularWeight: 456.60242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N4OS/c1-2-21-13-15-24(16-14-21)26-28-27(30-29-26)33-20-25(32)31(19-23-11-7-4-8-12-23)18-17-22-9-5-3-6-10-22/h3-16H,2,17-20H2,1H3,(H,28,29,30)