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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]thiazole CAS Name: 2-(3,4-dimethoxyphenyl)-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]thiazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]thiazole Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S2/c1-21-14-7-6-12(9-15(14)22-2)17-18-13(11-24-17)10-23-16-5-3-4-8-19(16)20/h3-9,11H,10H2,1-2H3