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

Systemtic Name: 3,4-dimethoxy-N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3,4-dimethoxy-N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3,4-dimethoxy-N-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3,4-dimethoxy-N-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24N4O4S/c1-25-19(14-22-20(26)15-9-10-17(27-2)18(13-15)28-3)23-24-21(25)30-12-11-29-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,22,26)