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

Systemtic Name: 1-(4-bromophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H15BrN4OS MolecularWeight: 451.339

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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN4OS/c22-17-10-8-15(9-11-17)19(27)14-28-21-25-24-20(16-5-4-12-23-13-16)26(21)18-6-2-1-3-7-18/h1-13H,14H2