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

Systemtic Name: 3-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoylamino]benzoic acid Openeye Name: 3-[2-(1-phenyltetrazol-5-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]propyl]amino]benzoic acid IUPAC Name: 3-[2-(1-phenyltetrazol-5-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[(1-phenyltetrazol-5-yl)thio]propanoylamino]benzoic acid Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H15N5O3S/c1-11(15(23)18-13-7-5-6-12(10-13)16(24)25)26-17-19-20-21-22(17)14-8-3-2-4-9-14/h2-11H,1H3,(H,18,23)(H,24,25)