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

Systemtic Name: tert-butyl 4-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]sulfanyl]piperidine-1-carboxylate CAS Name: 4-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thio]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]thio]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H27ClN4O2S MolecularWeight: 471.01478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)SC2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)SC2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN4O2S/c1-24(2,3)31-23(30)29-14-10-19(11-15-29)32-22-20(16-8-12-26-13-9-16)21(27-28-22)17-4-6-18(25)7-5-17/h4-9,12-13,19H,10-11,14-15H2,1-3H3,(H,27,28)