2-[[4-phenethyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-phenethyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-phenethyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-phenethyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-phenethyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-phenethyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C27H28N4O4S MolecularWeight: 504.60062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O4S/c1-33-22-16-20(17-23(34-2)25(22)35-3)26-29-30-27(31(26)15-14-19-10-6-4-7-11-19)36-18-24(32)28-21-12-8-5-9-13-21/h4-13,16-17H,14-15,18H2,1-3H3,(H,28,32)