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

Systemtic Name: 3-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]benzoic acid Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H13N5O3S/c22-14(17-12-6-4-5-11(9-12)15(23)24)10-25-16-18-19-20-21(16)13-7-2-1-3-8-13/h1-9H,10H2,(H,17,22)(H,23,24)