4-(5-ethyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine

Systemtic Name: 4-(5-ethyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine Openeye Name: 4-(5-ethyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine CAS Name: 4-[5-ethyl-3-(methylthio)-1-phenyl-4-pyrazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-(5-ethyl-3-methylsulfanyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine Traditional Name: [4-[5-ethyl-3-(methylthio)-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C22H21N5S/c1-3-19-20(21(28-2)26-27(19)17-12-8-5-9-13-17)18-14-15-23-22(25-18)24-16-10-6-4-7-11-16/h4-15H,3H2,1-2H3,(H,23,24,25)