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

Systemtic Name: 3,4,5-triethoxy-N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[4-(2-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[4-(2-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C31H34N4O6S MolecularWeight: 590.68986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H34N4O6S/c1-5-39-26-17-22(18-27(40-6-2)29(26)41-7-3)30(37)32-19-28-33-34-31(35(28)23-15-11-12-16-25(23)38-4)42-20-24(36)21-13-9-8-10-14-21/h8-18H,5-7,19-20H2,1-4H3,(H,32,37)