4-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(1-methyltetrazol-5-yl)thio]acetyl]amino]benzoic acid Formula: C11H11N5O3S MolecularWeight: 293.30174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H11N5O3S/c1-16-11(13-14-15-16)20-6-9(17)12-8-4-2-7(3-5-8)10(18)19/h2-5H,6H2,1H3,(H,12,17)(H,18,19)