3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]propanoate

Systemtic Name: 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]propanoate Openeye Name: 3-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanoate CAS Name: 3-[(1-phenyl-5-tetrazolyl)methylthio]propanoate IUPAC Name: 3-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanoate Traditional Name: 3-[(1-phenyltetrazol-5-yl)methylthio]propionate Formula: C11H11N4O2S- MolecularWeight: 263.29564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)CSCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)CSCCC(=O)[O-]

InChI

InChI=1S/C11H12N4O2S/c16-11(17)6-7-18-8-10-12-13-14-15(10)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17)/p-1