1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]ethanone Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H26N4O2S/c1-16-17(2)26-25(27-18(16)3)32-15-24(30)29-23(20-10-12-21(31-4)13-11-20)14-22(28-29)19-8-6-5-7-9-19/h5-13,23H,14-15H2,1-4H3