4-ethynoxy-3-(6-methyl-4-oxidanylidene-8-propyl-1H-imidazo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonyl chloride

Systemtic Name: 4-ethynoxy-3-(6-methyl-4-oxidanylidene-8-propyl-1H-imidazo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonyl chloride Openeye Name: 4-ethynoxy-3-(6-methyl-4-oxo-8-propyl-1H-imidazo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonyl chloride CAS Name: 4-ethynoxy-3-(6-methyl-4-oxo-8-propyl-1H-imidazo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonyl chloride IUPAC Name: 4-ethynoxy-3-(6-methyl-4-oxo-8-propyl-1H-imidazo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonyl chloride Traditional Name: 4-ethynoxy-3-(4-keto-6-methyl-8-propyl-1H-imidazo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonyl chloride Formula: C17H15ClN4O4S MolecularWeight: 406.8434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2NC(=NC(=O)N2C(=N1)C)C3=C(C=CC(=C3)S(=O)(=O)Cl)OC#C

Isomeric SMILES

CCCC1=C2NC(=NC(=O)N2C(=N1)C)C3=C(C=CC(=C3)S(=O)(=O)Cl)OC#C

InChI

InChI=1S/C17H15ClN4O4S/c1-4-6-13-16-20-15(21-17(23)22(16)10(3)19-13)12-9-11(27(18,24)25)7-8-14(12)26-5-2/h2,7-9H,4,6H2,1,3H3,(H,20,21,23)