3-[[1-(4-ethylphenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[1-(4-ethylphenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[1-(4-ethylphenyl)tetrazol-5-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[1-(4-ethylphenyl)-5-tetrazolyl]methylthio]propanoic acid IUPAC Name: 3-[[1-(4-ethylphenyl)tetrazol-5-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[1-(4-ethylphenyl)tetrazol-5-yl]methylthio]propionic acid Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=N2)CSCCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=N2)CSCCC(=O)O

InChI

InChI=1S/C13H16N4O2S/c1-2-10-3-5-11(6-4-10)17-12(14-15-16-17)9-20-8-7-13(18)19/h3-6H,2,7-9H2,1H3,(H,18,19)