tert-butyl 4-[3-(4-chlorophenyl)-4-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(4-chlorophenyl)-4-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-chlorophenyl)-4-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[3-(4-chlorophenyl)-4-[2-(methylthio)-4-pyrimidinyl]-1H-pyrazol-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-chlorophenyl)-4-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(4-chlorophenyl)-4-[2-(methylthio)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H28ClN5O2S MolecularWeight: 486.02942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC(=NC=C4)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC(=NC=C4)SC

InChI

InChI=1S/C24H28ClN5O2S/c1-24(2,3)32-23(31)30-13-10-16(11-14-30)21-19(18-9-12-26-22(27-18)33-4)20(28-29-21)15-5-7-17(25)8-6-15/h5-9,12,16H,10-11,13-14H2,1-4H3,(H,28,29)