[4-(4-aminophenyl)-3-cyano-6-cyclopropyl-pyridin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(4-aminophenyl)-3-cyano-6-cyclopropyl-pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(4-aminophenyl)-3-cyano-6-cyclopropyl-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(4-aminophenyl)-3-cyano-6-cyclopropyl-2-pyridinyl] ester IUPAC Name: [4-(4-aminophenyl)-3-cyano-6-cyclopropylpyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(4-aminophenyl)-3-cyano-6-cyclopropyl-2-pyridyl] ester Formula: C16H12F3N3O3S MolecularWeight: 383.34499

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(C(=C2)C3=CC=C(C=C3)N)C#N)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CC1C2=NC(=C(C(=C2)C3=CC=C(C=C3)N)C#N)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H12F3N3O3S/c17-16(18,19)26(23,24)25-15-13(8-20)12(7-14(22-15)10-1-2-10)9-3-5-11(21)6-4-9/h3-7,10H,1-2,21H2