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

Systemtic Name: methyl 4-[5-(cyanomethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-(cyanomethylsulfanyl)tetrazol-1-yl]benzoate CAS Name: 4-[5-(cyanomethylthio)-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(cyanomethylsulfanyl)tetrazol-1-yl]benzoate Traditional Name: 4-[5-(cyanomethylthio)tetrazol-1-yl]benzoic acid methyl ester Formula: C11H9N5O2S MolecularWeight: 275.28646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC#N

InChI

InChI=1S/C11H9N5O2S/c1-18-10(17)8-2-4-9(5-3-8)16-11(13-14-15-16)19-7-6-12/h2-5H,7H2,1H3