6-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C15H14N6OS MolecularWeight: 326.37626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C15H14N6OS/c16-14-18-12(10-23-13-8-4-5-9-21(13)22)19-15(20-14)17-11-6-2-1-3-7-11/h1-9H,10H2,(H3,16,17,18,19,20)