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

Systemtic Name: 4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine Openeye Name: 4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-N-phenyl-thiazol-2-amine CAS Name: 4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-N-phenyl-2-thiazolamine IUPAC Name: 4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine Traditional Name: [4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]thiazol-2-yl]-phenyl-amine Formula: C15H13N3OS2 MolecularWeight: 315.41322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3OS2/c19-18-9-5-4-8-14(18)20-10-13-11-21-15(17-13)16-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,16,17)