(3E)-2-azanyl-5-azanylidene-7-methylsulfanyl-3-[(4-piperidin-1-ylsulfonylphenyl)hydrazinylidene]pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: (3E)-2-azanyl-5-azanylidene-7-methylsulfanyl-3-[(4-piperidin-1-ylsulfonylphenyl)hydrazinylidene]pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: (3E)-2-amino-5-imino-7-methylsulfanyl-3-[[4-(1-piperidylsulfonyl)phenyl]hydrazono]pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: (3E)-2-amino-5-imino-7-(methylthio)-3-[[4-(1-piperidinylsulfonyl)phenyl]hydrazinylidene]-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: (3E)-2-amino-5-imino-7-methylsulfanyl-3-[(4-piperidin-1-ylsulfonylphenyl)hydrazinylidene]pyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: (3E)-2-amino-5-imino-7-(methylthio)-3-[(4-piperidinosulfonylphenyl)hydrazono]pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C19H21N9O2S2 MolecularWeight: 471.55914

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=N)N=C2N1N=C(C2=NNC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)N)C#N

Isomeric SMILES

CSC1=C(C(=N)N=C\2N1N=C(/C2=N\NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)N)C#N

InChI

InChI=1S/C19H21N9O2S2/c1-31-19-14(11-20)16(21)23-18-15(17(22)26-28(18)19)25-24-12-5-7-13(8-6-12)32(29,30)27-9-3-2-4-10-27/h5-8,21,24H,2-4,9-10H2,1H3,(H2,22,26)/b21-16?,25-15+