3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]benzoate IUPAC Name: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C10H9N4O2S- MolecularWeight: 249.26906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=CN2N)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=CN2N)C(=O)[O-]

InChI

InChI=1S/C10H10N4O2S/c11-14-6-12-13-10(14)17-5-7-2-1-3-8(4-7)9(15)16/h1-4,6H,5,11H2,(H,15,16)/p-1