4-(3-ethylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-(3-fluorophenyl)pyrimidin-2-amine

Systemtic Name: 4-(3-ethylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-(3-fluorophenyl)pyrimidin-2-amine Openeye Name: 4-(3-ethylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-(3-fluorophenyl)pyrimidin-2-amine CAS Name: 4-[3-(ethylthio)-5-methyl-1-phenyl-4-pyrazolyl]-N-(3-fluorophenyl)-2-pyrimidinamine IUPAC Name: 4-(3-ethylsulfanyl-5-methyl-1-phenylpyrazol-4-yl)-N-(3-fluorophenyl)pyrimidin-2-amine Traditional Name: [4-[3-(ethylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]-(3-fluorophenyl)amine Formula: C22H20FN5S MolecularWeight: 405.491103

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)F)C)C4=CC=CC=C4

Isomeric SMILES

CCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)F)C)C4=CC=CC=C4

InChI

InChI=1S/C22H20FN5S/c1-3-29-21-20(15(2)28(27-21)18-10-5-4-6-11-18)19-12-13-24-22(26-19)25-17-9-7-8-16(23)14-17/h4-14H,3H2,1-2H3,(H,24,25,26)