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

Systemtic Name: N-[1-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-2-oxidanyl-ethyl]benzamide Openeye Name: N-[2-hydroxy-1-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide CAS Name: N-[2-hydroxy-1-[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: N-[2-hydroxy-1-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide Traditional Name: N-[2-hydroxy-1-[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C(CO)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C(CO)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-24-18(16(12-25)21-19(27)15-10-6-3-7-11-15)22-23-20(24)28-13-17(26)14-8-4-2-5-9-14/h2-11,16,25H,12-13H2,1H3,(H,21,27)