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

Systemtic Name: 1-(4-bromophenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H14BrN3O2S MolecularWeight: 440.31306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CO4

InChI

InChI=1S/C20H14BrN3O2S/c21-15-10-8-14(9-11-15)17(25)13-27-20-23-22-19(18-7-4-12-26-18)24(20)16-5-2-1-3-6-16/h1-12H,13H2