1-methylsulfanyl-4-[(2-nitrophenyl)methyl]-3-oxidanylidene-2H-1,3,5-triazine-1,3-diium-2-amine

Systemtic Name: 1-methylsulfanyl-4-[(2-nitrophenyl)methyl]-3-oxidanylidene-2H-1,3,5-triazine-1,3-diium-2-amine Openeye Name: 1-methylsulfanyl-4-[(2-nitrophenyl)methyl]-3-oxo-2H-1,3,5-triazine-1,3-diium-2-amine CAS Name: 1-(methylthio)-4-[(2-nitrophenyl)methyl]-3-oxo-2H-1,3,5-triazine-1,3-diium-2-amine IUPAC Name: 1-methylsulfanyl-4-[(2-nitrophenyl)methyl]-3-oxo-2H-1,3,5-triazine-1,3-diium-2-amine Traditional Name: [3-keto-1-(methylthio)-4-(2-nitrobenzyl)-2H-s-triazine-1,3-diium-2-yl]amine Formula: C11H13N5O3S+2 MolecularWeight: 295.31762

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Descriptors Computed from Structure

Canonical SMILES:

CS[N+]1=CN=C([N+](=O)C1N)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CS[N+]1=CN=C([N+](=O)C1N)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O3S/c1-20-14-7-13-10(15(17)11(14)12)6-8-4-2-3-5-9(8)16(18)19/h2-5,7,11H,6,12H2,1H3/q+2