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

Systemtic Name: methyl 4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]methyl]benzoic acid methyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3S/c1-23-15-9-7-14(8-10-15)21-17(18-19-20-21)25-11-12-3-5-13(6-4-12)16(22)24-2/h3-10H,11H2,1-2H3