4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]methyl]benzoic acid IUPAC Name: 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]methyl]benzoic acid Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H14N4O3S/c1-23-14-8-6-13(7-9-14)20-16(17-18-19-20)24-10-11-2-4-12(5-3-11)15(21)22/h2-9H,10H2,1H3,(H,21,22)