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

Systemtic Name: methyl 3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: methyl 3-(5-thioxo-2H-tetrazol-1-yl)benzoate CAS Name: 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid methyl ester IUPAC Name: methyl 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoate Traditional Name: 3-(5-thioxo-2H-tetrazol-1-yl)benzoic acid methyl ester Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2C(=S)N=NN2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2C(=S)N=NN2

InChI

InChI=1S/C9H8N4O2S/c1-15-8(14)6-3-2-4-7(5-6)13-9(16)10-11-12-13/h2-5H,1H3,(H,10,12,16)