dimethyl 5-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(5-thioxo-2H-tetrazol-1-yl)benzene-1,3-dicarboxylate CAS Name: 5-(5-sulfanylidene-2H-tetrazol-1-yl)benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(5-sulfanylidene-2H-tetrazol-1-yl)benzene-1,3-dicarboxylate Traditional Name: 5-(5-thioxo-2H-tetrazol-1-yl)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C11H10N4O4S MolecularWeight: 294.2865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O4S/c1-18-9(16)6-3-7(10(17)19-2)5-8(4-6)15-11(20)12-13-14-15/h3-5H,1-2H3,(H,12,14,20)