ethyl 2-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate CAS Name: 2-[[1-(4-ethoxyphenyl)-5-tetrazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate Traditional Name: 2-[(1-p-phenetyltetrazol-5-yl)thio]acetic acid ethyl ester Formula: C13H16N4O3S MolecularWeight: 308.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)OCC

InChI

InChI=1S/C13H16N4O3S/c1-3-19-11-7-5-10(6-8-11)17-13(14-15-16-17)21-9-12(18)20-4-2/h5-8H,3-4,9H2,1-2H3