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

Systemtic Name: 1-[4-[[4-(5-methyl-1-phenyl-3-propylsulfanyl-pyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[4-(5-methyl-1-phenyl-3-propylsulfanyl-pyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[4-[5-methyl-1-phenyl-3-(propylthio)-4-pyrazolyl]-2-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[4-(5-methyl-1-phenyl-3-propylsulfanylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[4-[5-methyl-1-phenyl-3-(propylthio)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]ethanone Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)C)C)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H25N5OS/c1-4-16-32-24-23(17(2)30(29-24)21-8-6-5-7-9-21)22-14-15-26-25(28-22)27-20-12-10-19(11-13-20)18(3)31/h5-15H,4,16H2,1-3H3,(H,26,27,28)