N-[1-[5-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]-2-methoxy-benzamide

Systemtic Name: N-[1-[5-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]-2-methoxy-benzamide Openeye Name: N-[1-[5-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-2-methoxy-benzamide CAS Name: N-[1-[5-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-2-methoxybenzamide IUPAC Name: N-[1-[5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-2-methoxybenzamide Traditional Name: N-[1-[5-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-2-methoxy-benzamide Formula: C28H28N4O6S MolecularWeight: 548.61012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C(CO)NC(=O)C4=CC=CC=C4OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C(CO)NC(=O)C4=CC=CC=C4OC)OC

InChI

InChI=1S/C28H28N4O6S/c1-36-23-12-8-7-11-20(23)27(35)29-21(16-33)26-30-31-28(32(26)19-9-5-4-6-10-19)39-17-22(34)18-13-14-24(37-2)25(15-18)38-3/h4-15,21,33H,16-17H2,1-3H3,(H,29,35)