3-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoic acid

Systemtic Name: 3-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 3-[5-(2-amino-2-oxo-ethyl)sulfanyltetrazol-1-yl]benzoic acid CAS Name: 3-[5-[(2-amino-2-oxoethyl)thio]-1-tetrazolyl]benzoic acid IUPAC Name: 3-[5-(2-amino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoic acid Traditional Name: 3-[5-[(2-amino-2-keto-ethyl)thio]tetrazol-1-yl]benzoic acid Formula: C10H9N5O3S MolecularWeight: 279.27516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=NN=N2)SCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=NN=N2)SCC(=O)N)C(=O)O

InChI

InChI=1S/C10H9N5O3S/c11-8(16)5-19-10-12-13-14-15(10)7-3-1-2-6(4-7)9(17)18/h1-4H,5H2,(H2,11,16)(H,17,18)