2-[4-[(5-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(5-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[[5-(methylthio)-7-pyrazolo[1,5-a]pyrimidinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[5-(methylthio)pyrazolo[1,5-a]pyrimidin-7-yl]methyl]phenyl]benzonitrile Formula: C21H16N4S MolecularWeight: 356.44354

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=NN2C(=C1)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CSC1=NC2=CC=NN2C(=C1)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H16N4S/c1-26-21-13-18(25-20(24-21)10-11-23-25)12-15-6-8-16(9-7-15)19-5-3-2-4-17(19)14-22/h2-11,13H,12H2,1H3