3,4,5-trimethoxy-N-[[5-methylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[[5-methylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[[5-methylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[5-(methylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[[5-methylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[[5-(methylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H21N5O6S MolecularWeight: 459.47564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SC

InChI

InChI=1S/C20H21N5O6S/c1-29-15-9-12(10-16(30-2)18(15)31-3)19(26)21-11-17-22-23-20(32-4)24(17)13-5-7-14(8-6-13)25(27)28/h5-10H,11H2,1-4H3,(H,21,26)