3-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]methyl]benzoate IUPAC Name: 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C12H13N4O2S- MolecularWeight: 277.32222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1N)SCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C12H14N4O2S/c1-2-10-14-15-12(16(10)13)19-7-8-4-3-5-9(6-8)11(17)18/h3-6H,2,7,13H2,1H3,(H,17,18)/p-1