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

Systemtic Name: ethyl 7-methylsulfanyl-4-oxidanylidene-3-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Openeye Name: ethyl 7-methylsulfanyl-4-oxo-3-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate CAS Name: 7-(methylthio)-4-oxo-3-phenyl-8-pyrazolo[5,1-d][1,2,3,5]tetrazinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-methylsulfanyl-4-oxo-3-phenylpyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Traditional Name: 4-keto-7-(methylthio)-3-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid ethyl ester Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=NN(C(=O)N2N=C1SC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2N=NN(C(=O)N2N=C1SC)C3=CC=CC=C3

InChI

InChI=1S/C14H13N5O3S/c1-3-22-13(20)10-11-15-17-18(9-7-5-4-6-8-9)14(21)19(11)16-12(10)23-2/h4-8H,3H2,1-2H3