N-(4-methylphenyl)-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine

Systemtic Name: N-(4-methylphenyl)-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine Openeye Name: 4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-N-(p-tolyl)thiazol-2-amine CAS Name: N-(4-methylphenyl)-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-2-thiazolamine IUPAC Name: N-(4-methylphenyl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine Traditional Name: [4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]thiazol-2-yl]-(p-tolyl)amine Formula: C16H15N3OS2 MolecularWeight: 329.4398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H15N3OS2/c1-12-5-7-13(8-6-12)17-16-18-14(11-22-16)10-21-15-4-2-3-9-19(15)20/h2-9,11H,10H2,1H3,(H,17,18)