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

Systemtic Name: 3-[(3-oxidanidyl-1,2,4-triazin-5-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(3-oxido-1,2,4-triazin-5-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(3-oxido-1,2,4-triazin-5-yl)thio]methyl]benzoate IUPAC Name: 3-[(3-oxido-1,2,4-triazin-5-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(3-oxido-1,2,4-triazin-5-yl)thio]methyl]benzoate Formula: C11H7N3O3S-2 MolecularWeight: 261.25658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=CN=NC(=N2)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=CN=NC(=N2)[O-])C(=O)[O-]

InChI

InChI=1S/C11H9N3O3S/c15-10(16)8-3-1-2-7(4-8)6-18-9-5-12-14-11(17)13-9/h1-5H,6H2,(H,15,16)(H,13,14,17)/p-2