2-[[4-(4-ethoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-(4-ethoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 1-morpholino-2-[(5-phenethyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C24H28N4O3S MolecularWeight: 452.56912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3S/c1-2-31-21-11-9-20(10-12-21)28-22(13-8-19-6-4-3-5-7-19)25-26-24(28)32-18-23(29)27-14-16-30-17-15-27/h3-7,9-12H,2,8,13-18H2,1H3