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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O3S/c23-15(18-13-6-4-5-12(11-13)16(24)25)9-10-26-17-19-20-21-22(17)14-7-2-1-3-8-14/h1-8,11H,9-10H2,(H,18,23)(H,24,25)