4-[2-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(4-amino-5-keto-6-methyl-1,2,4-triazin-3-yl)thio]ethoxy]benzoic acid Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H14N4O4S/c1-8-11(18)17(14)13(16-15-8)22-7-6-21-10-4-2-9(3-5-10)12(19)20/h2-5H,6-7,14H2,1H3,(H,19,20)