ethyl 2-[(4-azanyl-6-methylidene-5-oxidanylidene-1,2,4-triazin-4-ium-3-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(4-azanyl-6-methylidene-5-oxidanylidene-1,2,4-triazin-4-ium-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-amino-6-methylene-5-oxo-1,2,4-triazin-4-ium-3-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-6-methylene-5-oxo-1,2,4-triazin-4-ium-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-amino-6-methylidene-5-oxo-1,2,4-triazin-4-ium-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-keto-6-methylene-1,2,4-triazin-4-ium-3-yl)thio]acetic acid ethyl ester Formula: C8H11N4O3S+ MolecularWeight: 243.26294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=[N+](C(=O)C(=C)N=N1)N

Isomeric SMILES

CCOC(=O)CSC1=[N+](C(=O)C(=C)N=N1)N

InChI

InChI=1S/C8H11N4O3S/c1-3-15-6(13)4-16-8-11-10-5(2)7(14)12(8)9/h2-4,9H2,1H3/q+1