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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-bromanyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-bromo-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 2-bromo-4-[[(1-methyl-5-tetrazolyl)thio]methyl]benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-bromo-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 2-bromo-4-[[(1-methyltetrazol-5-yl)thio]methyl]benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C16H15BrN4O3S MolecularWeight: 423.2843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC(=C(C=C2)C(=O)OC3=CC(=O)CCC3)Br

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC(=C(C=C2)C(=O)OC3=CC(=O)CCC3)Br

InChI

InChI=1S/C16H15BrN4O3S/c1-21-16(18-19-20-21)25-9-10-5-6-13(14(17)7-10)15(23)24-12-4-2-3-11(22)8-12/h5-8H,2-4,9H2,1H3