methyl 3-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanoate

Systemtic Name: methyl 3-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanoate Openeye Name: methyl 3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanoate CAS Name: 3-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanoate Traditional Name: 3-[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]propionic acid methyl ester Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=N2)SCCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)SCCC(=O)OC

InChI

InChI=1S/C12H14N4O3S/c1-18-10-5-3-9(4-6-10)16-12(13-14-15-16)20-8-7-11(17)19-2/h3-6H,7-8H2,1-2H3