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

Systemtic Name: 3-[[4-(3-butylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(3-butylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-[3-(butylthio)-5-methyl-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(3-butylsulfanyl-5-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-[3-(butylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C25H24N6S MolecularWeight: 440.56326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N6S/c1-3-4-15-32-24-23(18(2)31(30-24)21-11-6-5-7-12-21)22-13-14-27-25(29-22)28-20-10-8-9-19(16-20)17-26/h5-14,16H,3-4,15H2,1-2H3,(H,27,28,29)