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

Systemtic Name: 4-tert-butyl-N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[5-(butylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[5-(butylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C24H29FN4OS MolecularWeight: 440.576663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H29FN4OS/c1-5-6-15-31-23-28-27-21(29(23)20-13-11-19(25)12-14-20)16-26-22(30)17-7-9-18(10-8-17)24(2,3)4/h7-14H,5-6,15-16H2,1-4H3,(H,26,30)