2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(4-tert-butylphenyl)ethanone

Systemtic Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(4-tert-butylphenyl)ethanone Openeye Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(4-tert-butylphenyl)ethanone CAS Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]-1-(4-tert-butylphenyl)ethanone IUPAC Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(4-tert-butylphenyl)ethanone Traditional Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]-1-(4-tert-butylphenyl)ethanone Formula: C20H27N7OS MolecularWeight: 413.53968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N7OS/c1-6-21-16-23-17(22-7-2)27-18(24-16)25-26-19(27)29-12-15(28)13-8-10-14(11-9-13)20(3,4)5/h8-11H,6-7,12H2,1-5H3,(H2,21,22,23,24,25)