N-(2-chloranylpyridin-3-yl)-2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanyl-ethanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanyl-ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanyl-acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-(3-phenanthro[9,10-e][1,2,4]triazinylthio)acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanylacetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-(phenanthro[9,10-e][1,2,4]triazin-3-ylthio)acetamide Formula: C22H14ClN5OS MolecularWeight: 431.89746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)SCC(=O)NC5=C(N=CC=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)SCC(=O)NC5=C(N=CC=C5)Cl

InChI

InChI=1S/C22H14ClN5OS/c23-21-17(10-5-11-24-21)25-18(29)12-30-22-26-19-15-8-3-1-6-13(15)14-7-2-4-9-16(14)20(19)27-28-22/h1-11H,12H2,(H,25,29)