5-methylsulfanyl-3-nitro-7-[(4-nitrophenyl)amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: 5-methylsulfanyl-3-nitro-7-[(4-nitrophenyl)amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 5-methylsulfanyl-3-nitro-7-(4-nitroanilino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 5-(methylthio)-3-nitro-7-(4-nitroanilino)-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 5-methylsulfanyl-3-nitro-7-(4-nitroanilino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 5-(methylthio)-3-nitro-7-(4-nitroanilino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C14H9N7O4S MolecularWeight: 371.33076

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2C(=C1C#N)NC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=C(C=NN2C(=C1C#N)NC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N7O4S/c1-26-14-10(6-15)12(17-8-2-4-9(5-3-8)20(22)23)19-13(18-14)11(7-16-19)21(24)25/h2-5,7,17H,1H3