methyl 4-[2-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)ethanoyloxy]benzoate

Systemtic Name: methyl 4-[2-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)ethanoyloxy]benzoate Openeye Name: methyl 4-[2-(5-thioxo-2H-tetrazol-1-yl)acetyl]oxybenzoate CAS Name: 4-[1-oxo-2-(5-sulfanylidene-2H-tetrazol-1-yl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]oxybenzoate Traditional Name: 4-[2-(5-thioxo-2H-tetrazol-1-yl)acetyl]oxybenzoic acid methyl ester Formula: C11H10N4O4S MolecularWeight: 294.2865

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)CN2C(=S)N=NN2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)CN2C(=S)N=NN2

InChI

InChI=1S/C11H10N4O4S/c1-18-10(17)7-2-4-8(5-3-7)19-9(16)6-15-11(20)12-13-14-15/h2-5H,6H2,1H3,(H,12,14,20)