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

Systemtic Name: 4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]methyl]benzoate IUPAC Name: 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]methyl]benzoate Formula: C16H13N4O3S- MolecularWeight: 341.36442

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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)/p-1