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

Systemtic Name: 4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole Openeye Name: 2-(4-isopropylphenyl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]thiazole CAS Name: 4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-2-(4-propan-2-ylphenyl)thiazole IUPAC Name: 4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole Traditional Name: 4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-2-p-cumenyl-thiazole Formula: C18H18N2OS2 MolecularWeight: 342.47832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2OS2/c1-13(2)14-6-8-15(9-7-14)18-19-16(12-23-18)11-22-17-5-3-4-10-20(17)21/h3-10,12-13H,11H2,1-2H3