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

Systemtic Name: methyl 4-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-(p-tolyl)tetrazol-5-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(4-methylphenyl)-5-tetrazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-(p-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=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)OC

InChI

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