4-[5-(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)sulfanyl-1,2,3,4-tetrazol-1-yl]butanoic acid

Systemtic Name: 4-[5-(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)sulfanyl-1,2,3,4-tetrazol-1-yl]butanoic acid Openeye Name: 4-[5-(3-hydroxy-3-oxo-1-phenyl-propyl)sulfanyltetrazol-1-yl]butanoic acid CAS Name: 4-[5-[(3-hydroxy-3-oxo-1-phenylpropyl)thio]-1-tetrazolyl]butanoic acid IUPAC Name: 4-[5-(3-hydroxy-3-oxo-1-phenylpropyl)sulfanyltetrazol-1-yl]butanoic acid Traditional Name: 4-[5-[(3-hydroxy-3-keto-1-phenyl-propyl)thio]tetrazol-1-yl]butyric acid Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)SC2=NN=NN2CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)SC2=NN=NN2CCCC(=O)O

InChI

InChI=1S/C14H16N4O4S/c19-12(20)7-4-8-18-14(15-16-17-18)23-11(9-13(21)22)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,20)(H,21,22)