tert-butyl 3-(4-chlorophenyl)-2-(3-iodanyl-1-methyl-pyrazol-4-yl)sulfanyl-propanoate

Systemtic Name: tert-butyl 3-(4-chlorophenyl)-2-(3-iodanyl-1-methyl-pyrazol-4-yl)sulfanyl-propanoate Openeye Name: tert-butyl 3-(4-chlorophenyl)-2-(3-iodo-1-methyl-pyrazol-4-yl)sulfanyl-propanoate CAS Name: 3-(4-chlorophenyl)-2-[(3-iodo-1-methyl-4-pyrazolyl)thio]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-chlorophenyl)-2-(3-iodo-1-methylpyrazol-4-yl)sulfanylpropanoate Traditional Name: 3-(4-chlorophenyl)-2-[(3-iodo-1-methyl-pyrazol-4-yl)thio]propionic acid tert-butyl ester Formula: C17H20ClIN2O2S MolecularWeight: 478.77537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)Cl)SC2=CN(N=C2I)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)Cl)SC2=CN(N=C2I)C

InChI

InChI=1S/C17H20ClIN2O2S/c1-17(2,3)23-16(22)13(9-11-5-7-12(18)8-6-11)24-14-10-21(4)20-15(14)19/h5-8,10,13H,9H2,1-4H3