4-ethoxy-3-(5-methyl-4-oxidanylidene-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid

Systemtic Name: 4-ethoxy-3-(5-methyl-4-oxidanylidene-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid Openeye Name: 4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid CAS Name: 4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid IUPAC Name: 4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid Traditional Name: 4-ethoxy-3-(4-keto-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)besylic acid Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)O)OCC)C

Isomeric SMILES

CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)O)OCC)C

InChI

InChI=1S/C17H20N4O5S/c1-4-6-14-18-10(3)15-17(22)19-16(20-21(14)15)12-9-11(27(23,24)25)7-8-13(12)26-5-2/h7-9H,4-6H2,1-3H3,(H,19,20,22)(H,23,24,25)