2-fluoranyl-5-[[4-(5-methyl-1-phenyl-3-propylsulfanyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-5-[[4-(5-methyl-1-phenyl-3-propylsulfanyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 2-fluoro-5-[[4-(5-methyl-1-phenyl-3-propylsulfanyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 2-fluoro-5-[[4-[5-methyl-1-phenyl-3-(propylthio)-4-pyrazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 2-fluoro-5-[[4-(5-methyl-1-phenyl-3-propylsulfanylpyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 2-fluoro-5-[[4-[5-methyl-1-phenyl-3-(propylthio)pyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C24H21FN6S MolecularWeight: 444.527143

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC(=C(C=C3)F)C#N)C)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC(=C(C=C3)F)C#N)C)C4=CC=CC=C4

InChI

InChI=1S/C24H21FN6S/c1-3-13-32-23-22(16(2)31(30-23)19-7-5-4-6-8-19)21-11-12-27-24(29-21)28-18-9-10-20(25)17(14-18)15-26/h4-12,14H,3,13H2,1-2H3,(H,27,28,29)