7-(4-fluorophenyl)-2-(phenylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 7-(4-fluorophenyl)-2-(phenylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 7-(4-fluorophenyl)-2-(phenylmethylthio)-3-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 2-(benzylthio)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C20H13FN4S MolecularWeight: 360.407423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN3C(=CC=NC3=C2C#N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN3C(=CC=NC3=C2C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H13FN4S/c21-16-8-6-15(7-9-16)18-10-11-23-19-17(12-22)20(24-25(18)19)26-13-14-4-2-1-3-5-14/h1-11H,13H2