butyl 2-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NN=NN1C2=CC=C(C=C2)O

Isomeric SMILES

CCCCOC(=O)CSC1=NN=NN1C2=CC=C(C=C2)O

InChI

InChI=1S/C13H16N4O3S/c1-2-3-8-20-12(19)9-21-13-14-15-16-17(13)10-4-6-11(18)7-5-10/h4-7,18H,2-3,8-9H2,1H3