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

Systemtic Name: 2-fluoranyl-4-[[4-[5-methyl-3-(2-methylpropylsulfanyl)-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 2-fluoro-4-[[4-(3-isobutylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 2-fluoro-4-[[4-[5-methyl-3-(2-methylpropylthio)-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 2-fluoro-4-[[4-[5-methyl-3-(2-methylpropylsulfanyl)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 2-fluoro-4-[[4-[3-(isobutylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C25H23FN6S MolecularWeight: 458.553723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SCC(C)C)C3=NC(=NC=C3)NC4=CC(=C(C=C4)C#N)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SCC(C)C)C3=NC(=NC=C3)NC4=CC(=C(C=C4)C#N)F

InChI

InChI=1S/C25H23FN6S/c1-16(2)15-33-24-23(17(3)32(31-24)20-7-5-4-6-8-20)22-11-12-28-25(30-22)29-19-10-9-18(14-27)21(26)13-19/h4-13,16H,15H2,1-3H3,(H,28,29,30)