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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O2S/c1-16(2)26-21(18-9-11-19(28-3)12-10-18)24-25-22(26)29-15-20(27)23-14-13-17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3,(H,23,27)