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

Systemtic Name: ethyl 2-[(6-methylidene-5-oxidanylidene-4-phenyl-1,2,4-triazin-4-ium-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(6-methylene-5-oxo-4-phenyl-1,2,4-triazin-4-ium-3-yl)sulfanyl]acetate CAS Name: 2-[(6-methylene-5-oxo-4-phenyl-1,2,4-triazin-4-ium-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(6-methylidene-5-oxo-4-phenyl-1,2,4-triazin-4-ium-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-keto-6-methylene-4-phenyl-1,2,4-triazin-4-ium-3-yl)thio]acetic acid ethyl ester Formula: C14H14N3O3S+ MolecularWeight: 304.34426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N3O3S/c1-3-20-12(18)9-21-14-16-15-10(2)13(19)17(14)11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3/q+1