2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C23H18BrN3O2S MolecularWeight: 480.37692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Br

InChI

InChI=1S/C23H18BrN3O2S/c1-29-18-13-11-16(12-14-18)21(28)15-30-23-26-25-22(19-9-5-6-10-20(19)24)27(23)17-7-3-2-4-8-17/h2-14H,15H2,1H3