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

Systemtic Name: 2-(4-methylphenyl)-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-2-(p-tolyl)thiazole CAS Name: 2-(4-methylphenyl)-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]thiazole IUPAC Name: 2-(4-methylphenyl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-2-(p-tolyl)thiazole Formula: C16H14N2OS2 MolecularWeight: 314.42516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H14N2OS2/c1-12-5-7-13(8-6-12)16-17-14(11-21-16)10-20-15-4-2-3-9-18(15)19/h2-9,11H,10H2,1H3