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

Systemtic Name: N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[4-(2-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-(2-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S/c1-32-22-15-9-8-14-20(22)29-23(16-26-24(31)19-12-6-3-7-13-19)27-28-25(29)33-17-21(30)18-10-4-2-5-11-18/h2-15H,16-17H2,1H3,(H,26,31)