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

Systemtic Name: 3-[2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[[4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[[4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N2C=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)N2C=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H13N5O3S/c22-14(19-12-5-3-4-11(8-12)15(23)24)9-25-16-20-18-10-21(16)13-6-1-2-7-17-13/h1-8,10H,9H2,(H,19,22)(H,23,24)