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

Systemtic Name: 1-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)ethanone CAS Name: 2-[[5,6-bis(2-pyridinyl)-1,2,4-triazin-3-yl]thio]-1-(2,5-dimethoxyphenyl)ethanone IUPAC Name: 1-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)ethanone Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=N3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=N3)C4=CC=CC=N4

InChI

InChI=1S/C23H19N5O3S/c1-30-15-9-10-20(31-2)16(13-15)19(29)14-32-23-26-21(17-7-3-5-11-24-17)22(27-28-23)18-8-4-6-12-25-18/h3-13H,14H2,1-2H3