7-cyclohexyl-6-[4-(4-methylsulfonylphenyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 7-cyclohexyl-6-[4-(4-methylsulfonylphenyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 7-cyclohexyl-6-[4-(4-methylsulfonylphenyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 7-cyclohexyl-6-[4-(4-methylsulfonylphenyl)phenyl]-3-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 7-cyclohexyl-6-[4-(4-methylsulfonylphenyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 7-cyclohexyl-6-[4-(4-mesylphenyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(N4C(=C(C=N4)C#N)N=C3)C5CCCCC5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(N4C(=C(C=N4)C#N)N=C3)C5CCCCC5

InChI

InChI=1S/C26H24N4O2S/c1-33(31,32)23-13-11-19(12-14-23)18-7-9-20(10-8-18)24-17-28-26-22(15-27)16-29-30(26)25(24)21-5-3-2-4-6-21/h7-14,16-17,21H,2-6H2,1H3