ethyl 2-[(2-azanyl-3-oxidanylidene-4-phenyl-2H-1,3,5-triazine-1,3-diium-1-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(2-azanyl-3-oxidanylidene-4-phenyl-2H-1,3,5-triazine-1,3-diium-1-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(2-amino-3-oxo-4-phenyl-2H-1,3,5-triazine-1,3-diium-1-yl)sulfanyl]acetate CAS Name: 2-[(2-amino-3-oxo-4-phenyl-2H-1,3,5-triazine-1,3-diium-1-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-amino-3-oxo-4-phenyl-2H-1,3,5-triazine-1,3-diium-1-yl)sulfanyl]acetate Traditional Name: 2-[(2-amino-3-keto-4-phenyl-2H-s-triazine-1,3-diium-1-yl)thio]acetic acid ethyl ester Formula: C13H16N4O3S+2 MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S/c1-2-20-11(18)8-21-16-9-15-12(17(19)13(16)14)10-6-4-3-5-7-10/h3-7,9,13H,2,8,14H2,1H3/q+2