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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=NN2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=NN2CC3=CC=CC=C3

InChI

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