2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N,N-diphenyl-ethanamide

Systemtic Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N,N-diphenyl-ethanamide Openeye Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N,N-diphenyl-acetamide CAS Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]-N,N-diphenylacetamide IUPAC Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N,N-diphenylacetamide Traditional Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]-N,N-diphenyl-acetamide Formula: C22H24N8OS MolecularWeight: 448.54396

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N8OS/c1-3-23-19-25-20(24-4-2)30-21(26-19)27-28-22(30)32-15-18(31)29(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3,(H2,23,24,25,26,27)