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

Systemtic Name: 4-tert-butyl-N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(4-fluorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(4-fluorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C28H27FN4O2S MolecularWeight: 502.602983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H27FN4O2S/c1-28(2,3)21-11-9-20(10-12-21)26(35)30-17-25-31-32-27(33(25)23-15-13-22(29)14-16-23)36-18-24(34)19-7-5-4-6-8-19/h4-16H,17-18H2,1-3H3,(H,30,35)