2-[[5-[(4-bromanylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C24H20BrN3O2S MolecularWeight: 494.4035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=CC=C3)COC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=CC=C3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H20BrN3O2S/c1-17-7-5-6-10-21(17)28-23(15-30-20-13-11-19(25)12-14-20)26-27-24(28)31-16-22(29)18-8-3-2-4-9-18/h2-14H,15-16H2,1H3