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

Systemtic Name: 4-[5-methyl-3-(2-methylpropylsulfanyl)-1-phenyl-pyrazol-4-yl]-N-phenyl-pyrimidin-2-amine Openeye Name: 4-(3-isobutylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine CAS Name: 4-[5-methyl-3-(2-methylpropylthio)-1-phenyl-4-pyrazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-[5-methyl-3-(2-methylpropylsulfanyl)-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine Traditional Name: [4-[3-(isobutylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C24H25N5S MolecularWeight: 415.5538

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5S/c1-17(2)16-30-23-22(18(3)29(28-23)20-12-8-5-9-13-20)21-14-15-25-24(27-21)26-19-10-6-4-7-11-19/h4-15,17H,16H2,1-3H3,(H,25,26,27)