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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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