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

Systemtic Name: 4-[5-methyl-1-phenyl-3-(1-phenylethylsulfanyl)pyrazol-4-yl]-N-phenyl-pyrimidin-2-amine Openeye Name: 4-[5-methyl-1-phenyl-3-(1-phenylethylsulfanyl)pyrazol-4-yl]-N-phenyl-pyrimidin-2-amine CAS Name: 4-[5-methyl-1-phenyl-3-(1-phenylethylthio)-4-pyrazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-[5-methyl-1-phenyl-3-(1-phenylethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine Traditional Name: [4-[5-methyl-1-phenyl-3-(1-phenylethylthio)pyrazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C28H25N5S MolecularWeight: 463.5966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SC(C)C3=CC=CC=C3)C4=NC(=NC=C4)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SC(C)C3=CC=CC=C3)C4=NC(=NC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C28H25N5S/c1-20-26(25-18-19-29-28(31-25)30-23-14-8-4-9-15-23)27(32-33(20)24-16-10-5-11-17-24)34-21(2)22-12-6-3-7-13-22/h3-19,21H,1-2H3,(H,29,30,31)