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

Systemtic Name: ethyl 2-[(4-azanyl-5-oxidanylidene-6-phenyl-6H-1,2,4-triazin-4-ium-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-amino-5-oxo-6-phenyl-6H-1,2,4-triazin-4-ium-3-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-5-oxo-6-phenyl-6H-1,2,4-triazin-4-ium-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-amino-5-oxo-6-phenyl-6H-1,2,4-triazin-4-ium-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-keto-6-phenyl-6H-1,2,4-triazin-4-ium-3-yl)thio]acetic acid ethyl ester Formula: C13H15N4O3S+ MolecularWeight: 307.3482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=[N+](C(=O)C(N=N1)C2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)CSC1=[N+](C(=O)C(N=N1)C2=CC=CC=C2)N

InChI

InChI=1S/C13H15N4O3S/c1-2-20-10(18)8-21-13-16-15-11(12(19)17(13)14)9-6-4-3-5-7-9/h3-7,11H,2,8,14H2,1H3/q+1