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

Systemtic Name: 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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