2-[5-methyl-1-phenyl-4-(2-phenylazanylpyrimidin-4-yl)pyrazol-3-yl]sulfanylethyl ethanoate

Systemtic Name: 2-[5-methyl-1-phenyl-4-(2-phenylazanylpyrimidin-4-yl)pyrazol-3-yl]sulfanylethyl ethanoate Openeye Name: 2-[4-(2-anilinopyrimidin-4-yl)-5-methyl-1-phenyl-pyrazol-3-yl]sulfanylethyl acetate CAS Name: acetic acid 2-[[4-(2-anilino-4-pyrimidinyl)-5-methyl-1-phenyl-3-pyrazolyl]thio]ethyl ester IUPAC Name: 2-[4-(2-anilinopyrimidin-4-yl)-5-methyl-1-phenylpyrazol-3-yl]sulfanylethyl acetate Traditional Name: acetic acid 2-[[4-(2-anilinopyrimidin-4-yl)-5-methyl-1-phenyl-pyrazol-3-yl]thio]ethyl ester Formula: C24H23N5O2S MolecularWeight: 445.53672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O2S/c1-17-22(21-13-14-25-24(27-21)26-19-9-5-3-6-10-19)23(32-16-15-31-18(2)30)28-29(17)20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3,(H,25,26,27)