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

Systemtic Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-(4-butan-2-ylphenyl)ethanamide Openeye Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-(4-sec-butylphenyl)acetamide CAS Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]-N-(4-butan-2-ylphenyl)acetamide IUPAC Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-(4-butan-2-ylphenyl)acetamide Traditional Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]-N-(4-sec-butylphenyl)acetamide Formula: C20H28N8OS MolecularWeight: 428.55432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=NC(=N3)NCC)NCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=NC(=N3)NCC)NCC

InChI

InChI=1S/C20H28N8OS/c1-5-13(4)14-8-10-15(11-9-14)23-16(29)12-30-20-27-26-19-25-17(21-6-2)24-18(22-7-3)28(19)20/h8-11,13H,5-7,12H2,1-4H3,(H,23,29)(H2,21,22,24,25,26)