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

Systemtic Name: 1-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)ethanone CAS Name: 2-[[5,6-bis(2-pyridinyl)-1,2,4-triazin-3-yl]thio]-1-(2,4-dimethylphenyl)ethanone IUPAC Name: 1-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)ethanone Formula: C23H19N5OS MolecularWeight: 413.49486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=N3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=N3)C4=CC=CC=N4)C

InChI

InChI=1S/C23H19N5OS/c1-15-9-10-17(16(2)13-15)20(29)14-30-23-26-21(18-7-3-5-11-24-18)22(27-28-23)19-8-4-6-12-25-19/h3-13H,14H2,1-2H3