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

Systemtic Name: 7-[(3-cyanophenyl)amino]-5-methylsulfanyl-3-nitro-pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 7-(3-cyanoanilino)-5-methylsulfanyl-3-nitro-pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 7-(3-cyanoanilino)-5-(methylthio)-3-nitro-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 7-(3-cyanoanilino)-5-methylsulfanyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 7-(3-cyanoanilino)-5-(methylthio)-3-nitro-pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C15H9N7O2S MolecularWeight: 351.34266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9N7O2S/c1-25-15-11(7-17)13(19-10-4-2-3-9(5-10)6-16)21-14(20-15)12(8-18-21)22(23)24/h2-5,8,19H,1H3