4-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]benzoate

Systemtic Name: 4-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]benzoate Openeye Name: 4-[[(5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]benzoate CAS Name: 4-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]benzoate IUPAC Name: 4-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]benzoate Traditional Name: 4-[[(5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]benzoate Formula: C10H9N4O2S- MolecularWeight: 249.26906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNN2C=NNC2=S)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNN2C=NNC2=S)C(=O)[O-]

InChI

InChI=1S/C10H10N4O2S/c15-9(16)8-3-1-7(2-4-8)5-12-14-6-11-13-10(14)17/h1-4,6,12H,5H2,(H,13,17)(H,15,16)/p-1