1-(4-bromophenyl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone Openeye Name: 2-[[5,6-bis(2-pyridyl)-1,2,4-triazin-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 2-[[5,6-bis(2-pyridinyl)-1,2,4-triazin-3-yl]thio]-1-(4-bromophenyl)ethanone IUPAC Name: 1-(4-bromophenyl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone Traditional Name: 2-[[5,6-bis(2-pyridyl)-1,2,4-triazin-3-yl]thio]-1-(4-bromophenyl)ethanone Formula: C21H14BrN5OS MolecularWeight: 464.33776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=C(N=NC(=N2)SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=N4

Isomeric SMILES

C1=CC=NC(=C1)C2=C(N=NC(=N2)SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=N4

InChI

InChI=1S/C21H14BrN5OS/c22-15-9-7-14(8-10-15)18(28)13-29-21-25-19(16-5-1-3-11-23-16)20(26-27-21)17-6-2-4-12-24-17/h1-12H,13H2