2-(5-bromanyl-2-methoxy-phenyl)-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole

Systemtic Name: 2-(5-bromanyl-2-methoxy-phenyl)-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 2-(5-bromo-2-methoxy-phenyl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]thiazole CAS Name: 2-(5-bromo-2-methoxyphenyl)-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]thiazole IUPAC Name: 2-(5-bromo-2-methoxyphenyl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 2-(5-bromo-2-methoxy-phenyl)-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]thiazole Formula: C16H13BrN2O2S2 MolecularWeight: 409.32062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H13BrN2O2S2/c1-21-14-6-5-11(17)8-13(14)16-18-12(10-23-16)9-22-15-4-2-3-7-19(15)20/h2-8,10H,9H2,1H3