4-[2-(2-azanyl-5-azanylidene-6-cyano-7-methylsulfanyl-pyrazolo[1,5-a]pyrimidin-3-ylidene)hydrazinyl]benzoate

Systemtic Name: 4-[2-(2-azanyl-5-azanylidene-6-cyano-7-methylsulfanyl-pyrazolo[1,5-a]pyrimidin-3-ylidene)hydrazinyl]benzoate Openeye Name: 4-[2-(2-amino-6-cyano-5-imino-7-methylsulfanyl-pyrazolo[1,5-a]pyrimidin-3-ylidene)hydrazino]benzoate CAS Name: 4-[2-[2-amino-6-cyano-5-imino-7-(methylthio)-3-pyrazolo[1,5-a]pyrimidinylidene]hydrazinyl]benzoate IUPAC Name: 4-[2-(2-amino-6-cyano-5-imino-7-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-ylidene)hydrazinyl]benzoate Traditional Name: 4-[N'-[2-amino-6-cyano-5-imino-7-(methylthio)pyrazolo[1,5-a]pyrimidin-3-ylidene]hydrazino]benzoate Formula: C15H11N8O2S- MolecularWeight: 367.36524

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=N)N=C2N1N=C(C2=NNC3=CC=C(C=C3)C(=O)[O-])N)C#N

Isomeric SMILES

CSC1=C(C(=N)N=C2N1N=C(C2=NNC3=CC=C(C=C3)C(=O)[O-])N)C#N

InChI

InChI=1S/C15H12N8O2S/c1-26-14-9(6-16)11(17)19-13-10(12(18)22-23(13)14)21-20-8-4-2-7(3-5-8)15(24)25/h2-5,17,20H,1H3,(H2,18,22)(H,24,25)/p-1