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

Systemtic Name: 2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[[5,6-bis(2-pyridyl)-1,2,4-triazin-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[[5,6-bis(2-pyridinyl)-1,2,4-triazin-3-yl]thio]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[[5,6-bis(2-pyridyl)-1,2,4-triazin-3-yl]thio]-1-(4-phenylphenyl)ethanone Formula: C27H19N5OS MolecularWeight: 461.53766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=N4)C5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=N4)C5=CC=CC=N5

InChI

InChI=1S/C27H19N5OS/c33-24(21-14-12-20(13-15-21)19-8-2-1-3-9-19)18-34-27-30-25(22-10-4-6-16-28-22)26(31-32-27)23-11-5-7-17-29-23/h1-17H,18H2