2-[2-[(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(6-methyl-5-oxo-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]phenoxy]acetic acid CAS Name: 2-[2-[(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]phenoxy]acetic acid Traditional Name: 2-[2-[(5-keto-6-methyl-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]phenoxy]acetic acid Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N(C1=O)N=CC2=CC=CC=C2OCC(=O)O

Isomeric SMILES

CC1=NNC(=S)N(C1=O)N=CC2=CC=CC=C2OCC(=O)O

InChI

InChI=1S/C13H12N4O4S/c1-8-12(20)17(13(22)16-15-8)14-6-9-4-2-3-5-10(9)21-7-11(18)19/h2-6H,7H2,1H3,(H,16,22)(H,18,19)