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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H16N4O2S/c1-12-5-3-4-6-15(12)21-17(18-19-20-21)24-11-13-7-9-14(10-8-13)16(22)23-2/h3-10H,11H2,1-2H3