4-chloranyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]benzoic acid Formula: C11H9ClN4O3S MolecularWeight: 312.73216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)CSC2=NC=NN2)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)CSC2=NC=NN2)Cl

InChI

InChI=1S/C11H9ClN4O3S/c12-7-2-1-6(10(18)19)3-8(7)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)