4-(3-but-2-ynylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine

Systemtic Name: 4-(3-but-2-ynylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine Openeye Name: 4-(3-but-2-ynylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine CAS Name: 4-[3-(but-2-ynylthio)-5-methyl-1-phenyl-4-pyrazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-(3-but-2-ynylsulfanyl-5-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine Traditional Name: [4-[3-(but-2-ynylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C24H21N5S MolecularWeight: 411.52204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5S/c1-3-4-17-30-23-22(18(2)29(28-23)20-13-9-6-10-14-20)21-15-16-25-24(27-21)26-19-11-7-5-8-12-19/h5-16H,17H2,1-2H3,(H,25,26,27)