2-chloranyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: 2-chloranyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoate Openeye Name: 2-chloro-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate CAS Name: 2-chloro-5-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]benzoate IUPAC Name: 2-chloro-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]benzoate Formula: C11H8ClN4O3S- MolecularWeight: 311.72422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NC=NN2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC=NN2)C(=O)[O-])Cl

InChI

InChI=1S/C11H9ClN4O3S/c12-8-2-1-6(3-7(8)10(18)19)15-9(17)4-20-11-13-5-14-16-11/h1-3,5H,4H2,(H,15,17)(H,18,19)(H,13,14,16)/p-1