2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

Systemtic Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone Openeye Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone CAS Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(2,6-dimethyl-4-morpholinyl)ethanone IUPAC Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone Traditional Name: 1-(2,6-dimethylmorpholino)-2-[[4-(4-phenoxyphenyl)-5-veratryl-1,2,4-triazol-3-yl]thio]ethanone Formula: C31H34N4O5S MolecularWeight: 574.69046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC4=CC=CC=C4)CC5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1CN(CC(O1)C)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC4=CC=CC=C4)CC5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C31H34N4O5S/c1-21-18-34(19-22(2)39-21)30(36)20-41-31-33-32-29(17-23-10-15-27(37-3)28(16-23)38-4)35(31)24-11-13-26(14-12-24)40-25-8-6-5-7-9-25/h5-16,21-22H,17-20H2,1-4H3