2-[[4-[2-(3,4-dimethoxyphenyl)ethyl]-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethyl]-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[5-benzyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethyl]-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[5-benzyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[(5-benzyl-4-homoveratryl-1,2,4-triazol-3-yl)thio]-1-morpholino-ethanone Formula: C25H30N4O4S MolecularWeight: 482.5951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=NN=C2SCC(=O)N3CCOCC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=NN=C2SCC(=O)N3CCOCC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H30N4O4S/c1-31-21-9-8-20(16-22(21)32-2)10-11-29-23(17-19-6-4-3-5-7-19)26-27-25(29)34-18-24(30)28-12-14-33-15-13-28/h3-9,16H,10-15,17-18H2,1-2H3