2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C25H30N4O3S MolecularWeight: 466.5957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCCC4

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCCC4

InChI

InChI=1S/C25H30N4O3S/c1-31-21-11-8-12-22(17-21)32-18-23-26-27-25(29(23)16-13-20-9-4-2-5-10-20)33-19-24(30)28-14-6-3-7-15-28/h2,4-5,8-12,17H,3,6-7,13-16,18-19H2,1H3