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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC(=C(C=C3)C#N)F)C)C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC(=C(C=C3)C#N)F)C)C4=CC=CC=C4

InChI

InChI=1S/C25H23FN6S/c1-3-4-14-33-24-23(17(2)32(31-24)20-8-6-5-7-9-20)22-12-13-28-25(30-22)29-19-11-10-18(16-27)21(26)15-19/h5-13,15H,3-4,14H2,1-2H3,(H,28,29,30)