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

Systemtic Name: ethyl 3-(3-chlorophenyl)-7-methylsulfonyl-4-oxidanylidene-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Openeye Name: ethyl 3-(3-chlorophenyl)-7-methylsulfonyl-4-oxo-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate CAS Name: 3-(3-chlorophenyl)-7-methylsulfonyl-4-oxo-8-pyrazolo[5,1-d][1,2,3,5]tetrazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-chlorophenyl)-7-methylsulfonyl-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Traditional Name: 3-(3-chlorophenyl)-4-keto-7-mesyl-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid ethyl ester Formula: C14H12ClN5O5S MolecularWeight: 397.79358

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN5O5S/c1-3-25-13(21)10-11-16-18-19(9-6-4-5-8(15)7-9)14(22)20(11)17-12(10)26(2,23)24/h4-7H,3H2,1-2H3