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

Systemtic Name: 3,4-dimethoxy-N-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 3,4-dimethoxy-N-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 3,4-dimethoxy-N-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 3,4-dimethoxy-N-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N4O4S/c1-25-19(12-22-20(27)15-9-10-17(28-2)18(11-15)29-3)23-24-21(25)30-13-16(26)14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,22,27)