tert-butyl 4-[3-ethyl-1-[(4-methylsulfanylphenyl)methyl]pyrazol-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-ethyl-1-[(4-methylsulfanylphenyl)methyl]pyrazol-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-ethyl-1-[(4-methylsulfanylphenyl)methyl]pyrazol-4-yl]piperidine-1-carboxylate CAS Name: 4-[3-ethyl-1-[[4-(methylthio)phenyl]methyl]-4-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-ethyl-1-[(4-methylsulfanylphenyl)methyl]pyrazol-4-yl]piperidine-1-carboxylate Traditional Name: 4-[3-ethyl-1-[4-(methylthio)benzyl]pyrazol-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H33N3O2S MolecularWeight: 415.59202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C=C1C2CCN(CC2)C(=O)OC(C)(C)C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCC1=NN(C=C1C2CCN(CC2)C(=O)OC(C)(C)C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H33N3O2S/c1-6-21-20(16-26(24-21)15-17-7-9-19(29-5)10-8-17)18-11-13-25(14-12-18)22(27)28-23(2,3)4/h7-10,16,18H,6,11-15H2,1-5H3