tert-butyl 4-[[6-(4-methoxyphenyl)sulfanylpyridazin-3-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[6-(4-methoxyphenyl)sulfanylpyridazin-3-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[6-(4-methoxyphenyl)sulfanylpyridazin-3-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[6-[(4-methoxyphenyl)thio]-3-pyridazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(4-methoxyphenyl)sulfanylpyridazin-3-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[6-[(4-methoxyphenyl)thio]pyridazin-3-yl]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC2=NN=C(C=C2)SC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC2=NN=C(C=C2)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O3S/c1-22(2,3)28-21(26)25-13-11-16(12-14-25)15-17-5-10-20(24-23-17)29-19-8-6-18(27-4)7-9-19/h5-10,16H,11-15H2,1-4H3