4-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: 4-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C24H21BrN4OS MolecularWeight: 493.41874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H21BrN4OS/c25-21-12-10-20(11-13-21)23-27-28-24(29(23)15-14-17-4-2-1-3-5-17)31-16-18-6-8-19(9-7-18)22(26)30/h1-13H,14-16H2,(H2,26,30)