N-(2-chloranylpyridin-3-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetamide Formula: C22H16ClN5OS MolecularWeight: 433.91334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=C(N=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=C(N=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H16ClN5OS/c23-21-17(12-7-13-24-21)25-18(29)14-30-22-26-19(15-8-3-1-4-9-15)20(27-28-22)16-10-5-2-6-11-16/h1-13H,14H2,(H,25,29)