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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-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-(5-chloro-2-methoxy-phenyl)ethanone CAS Name: 2-[[5,6-bis(2-pyridinyl)-1,2,4-triazin-3-yl]thio]-1-(5-chloro-2-methoxyphenyl)ethanone IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxy-phenyl)ethanone Formula: C22H16ClN5O2S MolecularWeight: 449.91274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN5O2S/c1-30-19-9-8-14(23)12-15(19)18(29)13-31-22-26-20(16-6-2-4-10-24-16)21(27-28-22)17-7-3-5-11-25-17/h2-12H,13H2,1H3