4-(2-methoxy-4-methyl-phenyl)-1-methylsulfanyl-3-oxidanylidene-2H-1,3,5-triazine-1,3-diium-2-amine

Systemtic Name: 4-(2-methoxy-4-methyl-phenyl)-1-methylsulfanyl-3-oxidanylidene-2H-1,3,5-triazine-1,3-diium-2-amine Openeye Name: 4-(2-methoxy-4-methyl-phenyl)-1-methylsulfanyl-3-oxo-2H-1,3,5-triazine-1,3-diium-2-amine CAS Name: 4-(2-methoxy-4-methylphenyl)-1-(methylthio)-3-oxo-2H-1,3,5-triazine-1,3-diium-2-amine IUPAC Name: 4-(2-methoxy-4-methylphenyl)-1-methylsulfanyl-3-oxo-2H-1,3,5-triazine-1,3-diium-2-amine Traditional Name: [3-keto-4-(2-methoxy-4-methyl-phenyl)-1-(methylthio)-2H-s-triazine-1,3-diium-2-yl]amine Formula: C12H16N4O2S+2 MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC=[N+](C([N+]2=O)N)SC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC=[N+](C([N+]2=O)N)SC)OC

InChI

InChI=1S/C12H16N4O2S/c1-8-4-5-9(10(6-8)18-2)11-14-7-15(19-3)12(13)16(11)17/h4-7,12H,13H2,1-3H3/q+2