3-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 3-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoate Formula: C13H13N4O3S- MolecularWeight: 305.33232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-2-10-15-13(17-16-10)21-7-11(18)14-9-5-3-4-8(6-9)12(19)20/h3-6H,2,7H2,1H3,(H,14,18)(H,19,20)(H,15,16,17)/p-1