2-[1-(4-iodophenyl)pyrazol-4-yl]ethyl methanesulfonate

Systemtic Name: 2-[1-(4-iodophenyl)pyrazol-4-yl]ethyl methanesulfonate Openeye Name: 2-[1-(4-iodophenyl)pyrazol-4-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[1-(4-iodophenyl)-4-pyrazolyl]ethyl ester IUPAC Name: 2-[1-(4-iodophenyl)pyrazol-4-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[1-(4-iodophenyl)pyrazol-4-yl]ethyl ester Formula: C12H13IN2O3S MolecularWeight: 392.21269

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC1=CN(N=C1)C2=CC=C(C=C2)I

Isomeric SMILES

CS(=O)(=O)OCCC1=CN(N=C1)C2=CC=C(C=C2)I

InChI

InChI=1S/C12H13IN2O3S/c1-19(16,17)18-7-6-10-8-14-15(9-10)12-4-2-11(13)3-5-12/h2-5,8-9H,6-7H2,1H3