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

Systemtic Name: 2-fluoranyl-4-[[4-(5-methyl-3-pentylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 2-fluoro-4-[[4-(5-methyl-3-pentylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 2-fluoro-4-[[4-[5-methyl-3-(pentylthio)-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 2-fluoro-4-[[4-(5-methyl-3-pentylsulfanyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[3-(amylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amino]-2-fluoro-benzonitrile Formula: C26H25FN6S MolecularWeight: 472.580303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC(=C(C=C3)C#N)F)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC(=C(C=C3)C#N)F)C)C4=CC=CC=C4

InChI

InChI=1S/C26H25FN6S/c1-3-4-8-15-34-25-24(18(2)33(32-25)21-9-6-5-7-10-21)23-13-14-29-26(31-23)30-20-12-11-19(17-28)22(27)16-20/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,29,30,31)