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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)NCC2=NN=C(N2C3=CC(=CC=C3)OC)SCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)NCC2=NN=C(N2C3=CC(=CC=C3)OC)SCCC4=CC=CC=C4

InChI

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