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

Systemtic Name: 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid Openeye Name: 3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid CAS Name: 3-[(1-phenyl-5-tetrazolyl)thio]propanoic acid IUPAC Name: 3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid Traditional Name: 3-[(1-phenyltetrazol-5-yl)thio]propionic acid Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N4O2S/c15-9(16)6-7-17-10-11-12-13-14(10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)