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

Systemtic Name: 3-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid Formula: C11H11N5O3S MolecularWeight: 293.30174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NNC(=N2)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NNC(=N2)N)C(=O)O

InChI

InChI=1S/C11H11N5O3S/c12-10-14-11(16-15-10)20-5-8(17)13-7-3-1-2-6(4-7)9(18)19/h1-4H,5H2,(H,13,17)(H,18,19)(H3,12,14,15,16)