(4S)-4-(4-methylsulfanylphenyl)-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine

Systemtic Name: (4S)-4-(4-methylsulfanylphenyl)-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine Openeye Name: (4S)-4-(4-methylsulfanylphenyl)-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine CAS Name: (4S)-4-[4-(methylthio)phenyl]-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine IUPAC Name: (4S)-4-(4-methylsulfanylphenyl)-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine Traditional Name: [(4S)-4-[4-(methylthio)phenyl]-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-yl]amine Formula: C16H16N5S+ MolecularWeight: 310.39674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2N=C(NC3=[N+]2C4=CC=CC=C4N3)N

Isomeric SMILES

CSC1=CC=C(C=C1)[C@H]2N=C(NC3=[N+]2C4=CC=CC=C4N3)N

InChI

InChI=1S/C16H15N5S/c1-22-11-8-6-10(7-9-11)14-19-15(17)20-16-18-12-4-2-3-5-13(12)21(14)16/h2-9,14H,1H3,(H3,17,18,19,20)/p+1/t14-/m0/s1