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

Systemtic Name: 4-ethoxy-3-(5-methyl-4-oxidanylidene-7-propyl-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid Openeye Name: 4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid CAS Name: 4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid IUPAC Name: 4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid Traditional Name: 4-ethoxy-3-(4-keto-5-methyl-7-propyl-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)besylic acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-4-6-12-9-11(3)16-18(22)19-17(20-21(12)16)14-10-13(27(23,24)25)7-8-15(14)26-5-2/h7-10H,4-6H2,1-3H3,(H,19,20,22)(H,23,24,25)