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

Systemtic Name: 3-nitro-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3-nitro-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-nitro-5-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]benzoic acid IUPAC Name: 3-nitro-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 3-nitro-5-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]benzoic acid Formula: C11H9N5O5S MolecularWeight: 323.28466

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1NC(=O)CSC2=NC=NN2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1NC(=O)CSC2=NC=NN2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H9N5O5S/c17-9(4-22-11-12-5-13-15-11)14-7-1-6(10(18)19)2-8(3-7)16(20)21/h1-3,5H,4H2,(H,14,17)(H,18,19)(H,12,13,15)