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

Systemtic Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-4-tert-butylbenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-tert-butylbenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide Formula: C23H27BrN4OS MolecularWeight: 487.45568

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H27BrN4OS/c1-5-14-30-22-27-26-20(28(22)19-12-10-18(24)11-13-19)15-25-21(29)16-6-8-17(9-7-16)23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,25,29)