2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-phenyl-ethanone bromide Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-phenyl-ethanone bromide CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-phenylethanone bromide IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-phenylethanone bromide Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-phenyl-ethanone bromide Formula: C23H17BrN3OS- MolecularWeight: 463.36958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H17N3OS.BrH/c27-20(17-10-4-1-5-11-17)16-28-23-24-21(18-12-6-2-7-13-18)22(25-26-23)19-14-8-3-9-15-19;/h1-15H,16H2;1H/p-1