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

Systemtic Name: 2-fluoranyl-N-[[4-(3-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 2-fluoro-N-[[4-(m-tolyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 2-fluoro-N-[[4-(3-methylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-fluoro-N-[[4-(3-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 2-fluoro-N-[[4-(m-tolyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C25H21FN4O2S MolecularWeight: 460.523243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H21FN4O2S/c1-17-8-7-11-19(14-17)30-23(15-27-24(32)20-12-5-6-13-21(20)26)28-29-25(30)33-16-22(31)18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,27,32)