1-[2-(3-bromanylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonate

Systemtic Name: 1-[2-(3-bromanylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonate Openeye Name: 1-[2-(3-bromo-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonate CAS Name: 1-[2-(3-bromo-2-pyridinyl)-10-phenothiazinyl]-1-propanesulfonate IUPAC Name: 1-[2-(3-bromopyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonate Traditional Name: 1-[2-(3-bromo-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonate Formula: C20H16BrN2O3S2- MolecularWeight: 476.38664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C2=CC=CC=C2SC3=C1C=C(C=C3)C4=C(C=CC=N4)Br)S(=O)(=O)[O-]

Isomeric SMILES

CCC(N1C2=CC=CC=C2SC3=C1C=C(C=C3)C4=C(C=CC=N4)Br)S(=O)(=O)[O-]

InChI

InChI=1S/C20H17BrN2O3S2/c1-2-19(28(24,25)26)23-15-7-3-4-8-17(15)27-18-10-9-13(12-16(18)23)20-14(21)6-5-11-22-20/h3-12,19H,2H2,1H3,(H,24,25,26)/p-1