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

Systemtic Name: tert-butyl 4-[3-(4-chlorophenyl)-4-(2-methylsulfanylpyridin-4-yl)-1H-pyrazol-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-chlorophenyl)-4-(2-methylsulfanyl-4-pyridyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[3-(4-chlorophenyl)-4-[2-(methylthio)-4-pyridinyl]-1H-pyrazol-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-chlorophenyl)-4-(2-methylsulfanylpyridin-4-yl)-1H-pyrazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(4-chlorophenyl)-4-[2-(methylthio)-4-pyridyl]-1H-pyrazol-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H29ClN4O2S MolecularWeight: 485.04136

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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=CC(=NC=C4)SC

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O2S/c1-25(2,3)32-24(31)30-13-10-17(11-14-30)23-21(18-9-12-27-20(15-18)33-4)22(28-29-23)16-5-7-19(26)8-6-16/h5-9,12,15,17H,10-11,13-14H2,1-4H3,(H,28,29)