methyl 4-[5-(pyridin-2-ylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-(pyridin-2-ylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-(2-pyridylmethylsulfanyl)tetrazol-1-yl]benzoate CAS Name: 4-[5-(2-pyridinylmethylthio)-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]benzoate Traditional Name: 4-[5-(2-pyridylmethylthio)tetrazol-1-yl]benzoic acid methyl ester Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=N3

InChI

InChI=1S/C15H13N5O2S/c1-22-14(21)11-5-7-13(8-6-11)20-15(17-18-19-20)23-10-12-4-2-3-9-16-12/h2-9H,10H2,1H3