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

Systemtic Name: 4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenyl-pyrimidin-2-amine Openeye Name: 4-[5-methyl-1-phenyl-3-(2-thienylmethylsulfanyl)pyrazol-4-yl]-N-phenyl-pyrimidin-2-amine CAS Name: 4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylthio)-4-pyrazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine Traditional Name: [4-[5-methyl-1-phenyl-3-(2-thenylthio)pyrazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C25H21N5S2 MolecularWeight: 455.59774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SCC3=CC=CS3)C4=NC(=NC=C4)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SCC3=CC=CS3)C4=NC(=NC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C25H21N5S2/c1-18-23(22-14-15-26-25(28-22)27-19-9-4-2-5-10-19)24(32-17-21-13-8-16-31-21)29-30(18)20-11-6-3-7-12-20/h2-16H,17H2,1H3,(H,26,27,28)