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

Systemtic Name: 4-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-3-phenyl-butanoic acid Openeye Name: 4-[5-(2-amino-2-oxo-ethyl)sulfanyltetrazol-1-yl]-3-phenyl-butanoic acid CAS Name: 4-[5-[(2-amino-2-oxoethyl)thio]-1-tetrazolyl]-3-phenylbutanoic acid IUPAC Name: 4-[5-(2-amino-2-oxoethyl)sulfanyltetrazol-1-yl]-3-phenylbutanoic acid Traditional Name: 4-[5-[(2-amino-2-keto-ethyl)thio]tetrazol-1-yl]-3-phenyl-butyric acid Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)CN2C(=NN=N2)SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)CN2C(=NN=N2)SCC(=O)N

InChI

InChI=1S/C13H15N5O3S/c14-11(19)8-22-13-15-16-17-18(13)7-10(6-12(20)21)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,19)(H,20,21)