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

Systemtic Name: methyl 2-oxidanyl-5-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: methyl 2-hydroxy-5-(5-thioxo-2H-tetrazol-1-yl)benzoate CAS Name: 2-hydroxy-5-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-(5-sulfanylidene-2H-tetrazol-1-yl)benzoate Traditional Name: 2-hydroxy-5-(5-thioxo-2H-tetrazol-1-yl)benzoic acid methyl ester Formula: C9H8N4O3S MolecularWeight: 252.24982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N4O3S/c1-16-8(15)6-4-5(2-3-7(6)14)13-9(17)10-11-12-13/h2-4,14H,1H3,(H,10,12,17)