methyl 4-[[1-(2-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanoate

Systemtic Name: methyl 4-[[1-(2-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanoate Openeye Name: methyl 4-[1-(2-hydroxyphenyl)tetrazol-5-yl]sulfanylbutanoate CAS Name: 4-[[1-(2-hydroxyphenyl)-5-tetrazolyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[1-(2-hydroxyphenyl)tetrazol-5-yl]sulfanylbutanoate Traditional Name: 4-[[1-(2-hydroxyphenyl)tetrazol-5-yl]thio]butyric acid methyl ester Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=NN=NN1C2=CC=CC=C2O

Isomeric SMILES

COC(=O)CCCSC1=NN=NN1C2=CC=CC=C2O

InChI

InChI=1S/C12H14N4O3S/c1-19-11(18)7-4-8-20-12-13-14-15-16(12)9-5-2-3-6-10(9)17/h2-3,5-6,17H,4,7-8H2,1H3