7-azanyl-6-cyano-2-methylsulfanyl-N,5-diphenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 7-azanyl-6-cyano-2-methylsulfanyl-N,5-diphenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 7-amino-6-cyano-2-methylsulfanyl-N,5-diphenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 7-amino-6-cyano-2-(methylthio)-N,5-diphenyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 7-amino-6-cyano-2-methylsulfanyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 7-amino-6-cyano-2-(methylthio)-N,5-diphenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C21H16N6OS MolecularWeight: 400.45634

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN2C(=C(C(=NC2=C1C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C#N)N

Isomeric SMILES

CSC1=NN2C(=C(C(=NC2=C1C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C#N)N

InChI

InChI=1S/C21H16N6OS/c1-29-21-16(20(28)24-14-10-6-3-7-11-14)19-25-17(13-8-4-2-5-9-13)15(12-22)18(23)27(19)26-21/h2-11H,23H2,1H3,(H,24,28)