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

Systemtic Name: 3-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C17H15N4O4S- MolecularWeight: 371.3904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)[O-])C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)[O-])C3=CC=CO3

InChI

InChI=1S/C17H16N4O4S/c1-2-21-15(13-7-4-8-25-13)19-20-17(21)26-10-14(22)18-12-6-3-5-11(9-12)16(23)24/h3-9H,2,10H2,1H3,(H,18,22)(H,23,24)/p-1