ethyl 7-methylsulfonyl-4-oxidanylidene-3-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate

Systemtic Name: ethyl 7-methylsulfonyl-4-oxidanylidene-3-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Openeye Name: ethyl 7-methylsulfonyl-4-oxo-3-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate CAS Name: 7-methylsulfonyl-4-oxo-3-phenyl-8-pyrazolo[5,1-d][1,2,3,5]tetrazinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-methylsulfonyl-4-oxo-3-phenylpyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Traditional Name: 4-keto-7-mesyl-3-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid ethyl ester Formula: C14H13N5O5S MolecularWeight: 363.34852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=NN(C(=O)N2N=C1S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2N=NN(C(=O)N2N=C1S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C14H13N5O5S/c1-3-24-13(20)10-11-15-17-18(9-7-5-4-6-8-9)14(21)19(11)16-12(10)25(2,22)23/h4-8H,3H2,1-2H3