6-[2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[5,6-bis(2-pyridyl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[5,6-bis(2-pyridinyl)-1,2,4-triazin-3-yl]thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[5,6-bis(2-pyridyl)-1,2,4-triazin-3-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C23H16N6O3S MolecularWeight: 456.47654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=N4)C5=CC=CC=N5

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=N4)C5=CC=CC=N5

InChI

InChI=1S/C23H16N6O3S/c30-18(14-7-8-19-17(11-14)26-20(31)12-32-19)13-33-23-27-21(15-5-1-3-9-24-15)22(28-29-23)16-6-2-4-10-25-16/h1-11H,12-13H2,(H,26,31)