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

Systemtic Name: 3-fluoranyl-N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-fluoro-N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3-fluoro-N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-fluoro-N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3-fluoro-N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C25H23FN4O2S MolecularWeight: 462.539123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H23FN4O2S/c1-32-22-12-6-11-21(16-22)30-23(17-27-24(31)19-9-5-10-20(26)15-19)28-29-25(30)33-14-13-18-7-3-2-4-8-18/h2-12,15-16H,13-14,17H2,1H3,(H,27,31)