2-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[1-(o-tolyl)tetrazol-5-yl]sulfanylethyl benzoate CAS Name: benzoic acid 2-[[1-(2-methylphenyl)-5-tetrazolyl]thio]ethyl ester IUPAC Name: 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl benzoate Traditional Name: benzoic acid 2-[[1-(o-tolyl)tetrazol-5-yl]thio]ethyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c1-13-7-5-6-10-15(13)21-17(18-19-20-21)24-12-11-23-16(22)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3