2-[4-[5-azanyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl methanesulfonate

Systemtic Name: 2-[4-[5-azanyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl methanesulfonate Openeye Name: 2-[4-[5-amino-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-[5-amino-4-phenyl-3-(trifluoromethyl)-1-pyrazolyl]phenyl]ethyl ester IUPAC Name: 2-[4-[5-amino-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-[5-amino-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl ester Formula: C19H18F3N3O3S MolecularWeight: 425.42473

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC1=CC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C3=CC=CC=C3)N

Isomeric SMILES

CS(=O)(=O)OCCC1=CC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C3=CC=CC=C3)N

InChI

InChI=1S/C19H18F3N3O3S/c1-29(26,27)28-12-11-13-7-9-15(10-8-13)25-18(23)16(14-5-3-2-4-6-14)17(24-25)19(20,21)22/h2-10H,11-12,23H2,1H3