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

Systemtic Name: N2-(2-methylphenyl)-6-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(o-tolyl)-6-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methylphenyl)-6-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methylphenyl)-6-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C16H16N6OS MolecularWeight: 340.40284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H16N6OS/c1-11-6-2-3-7-12(11)18-16-20-13(19-15(17)21-16)10-24-14-8-4-5-9-22(14)23/h2-9H,10H2,1H3,(H3,17,18,19,20,21)