3-[[(6Z)-6-[(5-bromanylpyridin-2-yl)hydrazinylidene]-5-oxidanylidene-3-propyl-cyclohexa-1,3-dien-1-yl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[(6Z)-6-[(5-bromanylpyridin-2-yl)hydrazinylidene]-5-oxidanylidene-3-propyl-cyclohexa-1,3-dien-1-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(6Z)-6-[(5-bromo-2-pyridyl)hydrazono]-5-oxo-3-propyl-cyclohexa-1,3-dien-1-yl]amino]propane-1-sulfonic acid CAS Name: 3-[[(6Z)-6-[(5-bromo-2-pyridinyl)hydrazinylidene]-5-oxo-3-propyl-1-cyclohexa-1,3-dienyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(6Z)-6-[(5-bromopyridin-2-yl)hydrazinylidene]-5-oxo-3-propylcyclohexa-1,3-dien-1-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(6Z)-6-[(5-bromo-2-pyridyl)hydrazono]-5-keto-3-propyl-cyclohexa-1,3-dien-1-yl]amino]propane-1-sulfonic acid Formula: C17H21BrN4O4S MolecularWeight: 457.34204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)C(=NNC2=NC=C(C=C2)Br)C(=C1)NCCCS(=O)(=O)O

Isomeric SMILES

CCCC1=CC(=O)/C(=N\NC2=NC=C(C=C2)Br)/C(=C1)NCCCS(=O)(=O)O

InChI

InChI=1S/C17H21BrN4O4S/c1-2-4-12-9-14(19-7-3-8-27(24,25)26)17(15(23)10-12)22-21-16-6-5-13(18)11-20-16/h5-6,9-11,19H,2-4,7-8H2,1H3,(H,20,21)(H,24,25,26)/b22-17-