3,5-dimethoxy-N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3,5-dimethoxy-N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3,5-dimethoxy-N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3,5-dimethoxy-N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C27H28N4O4S MolecularWeight: 504.60062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C27H28N4O4S/c1-33-22-11-7-10-21(16-22)31-25(29-30-27(31)36-13-12-19-8-5-4-6-9-19)18-28-26(32)20-14-23(34-2)17-24(15-20)35-3/h4-11,14-17H,12-13,18H2,1-3H3,(H,28,32)