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

Systemtic Name: 4-[2-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(4-amino-5-keto-1,2,4-triazin-3-yl)thio]ethoxy]benzoic acid Formula: C12H12N4O4S MolecularWeight: 308.31308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCSC2=NN=CC(=O)N2N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCSC2=NN=CC(=O)N2N

InChI

InChI=1S/C12H12N4O4S/c13-16-10(17)7-14-15-12(16)21-6-5-20-9-3-1-8(2-4-9)11(18)19/h1-4,7H,5-6,13H2,(H,18,19)