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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N6S/c1-17(2)16-32-24-23(18(3)31(30-24)21-10-5-4-6-11-21)22-12-13-27-25(29-22)28-20-9-7-8-19(14-20)15-26/h4-14,17H,16H2,1-3H3,(H,27,28,29)