4-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-5-oxo-1,2,4-triazin-3-yl)thio]methyl]benzoate IUPAC Name: 4-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-amino-5-keto-1,2,4-triazin-3-yl)thio]methyl]benzoate Formula: C11H9N4O3S- MolecularWeight: 277.27916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=CC(=O)N2N)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=CC(=O)N2N)C(=O)[O-]

InChI

InChI=1S/C11H10N4O3S/c12-15-9(16)5-13-14-11(15)19-6-7-1-3-8(4-2-7)10(17)18/h1-5H,6,12H2,(H,17,18)/p-1