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

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-fluorophenyl)-2-phenyl-ethanamide Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-fluorophenyl)-2-phenyl-acetamide CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(4-fluorophenyl)-2-phenylacetamide IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(4-fluorophenyl)-2-phenyl-acetamide Formula: C29H21FN4OS MolecularWeight: 492.566643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C29H21FN4OS/c30-23-16-18-24(19-17-23)31-28(35)27(22-14-8-3-9-15-22)36-29-32-25(20-10-4-1-5-11-20)26(33-34-29)21-12-6-2-7-13-21/h1-19,27H,(H,31,35)