2-(3-bromophenyl)-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole

Systemtic Name: 2-(3-bromophenyl)-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 2-(3-bromophenyl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]thiazole CAS Name: 2-(3-bromophenyl)-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]thiazole IUPAC Name: 2-(3-bromophenyl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 2-(3-bromophenyl)-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]thiazole Formula: C15H11BrN2OS2 MolecularWeight: 379.29464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=CSC(=N2)C3=CC(=CC=C3)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=CSC(=N2)C3=CC(=CC=C3)Br)[O-]

InChI

InChI=1S/C15H11BrN2OS2/c16-12-5-3-4-11(8-12)15-17-13(10-21-15)9-20-14-6-1-2-7-18(14)19/h1-8,10H,9H2