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

Systemtic Name: methyl 2-bromanyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: methyl 2-bromo-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 2-bromo-4-[[(1-methyl-5-tetrazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-bromo-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 2-bromo-4-[[(1-methyltetrazol-5-yl)thio]methyl]benzoic acid methyl ester Formula: C11H11BrN4O2S MolecularWeight: 343.19964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC(=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC(=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C11H11BrN4O2S/c1-16-11(13-14-15-16)19-6-7-3-4-8(9(12)5-7)10(17)18-2/h3-5H,6H2,1-2H3