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

Systemtic Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C16H18N8O3S MolecularWeight: 402.43092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=NC(=NN2C(=N1)NCC)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NC2=NC(=NN2C(=N1)NCC)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N8O3S/c1-3-17-13-19-14(18-4-2)23-15(20-13)21-16(22-23)28-9-12(25)10-6-5-7-11(8-10)24(26)27/h5-8H,3-4,9H2,1-2H3,(H2,17,18,19,20,21,22)