1-[4-chloranyl-2-fluoranyl-5-(thian-3-ylmethoxy)phenyl]-4,5,6,7-tetrahydro-2H-indazol-3-one

Systemtic Name: 1-[4-chloranyl-2-fluoranyl-5-(thian-3-ylmethoxy)phenyl]-4,5,6,7-tetrahydro-2H-indazol-3-one Openeye Name: 1-[4-chloro-2-fluoro-5-(tetrahydrothiopyran-3-ylmethoxy)phenyl]-4,5,6,7-tetrahydro-2H-indazol-3-one CAS Name: 1-[4-chloro-2-fluoro-5-(3-thianylmethoxy)phenyl]-4,5,6,7-tetrahydro-2H-indazol-3-one IUPAC Name: 1-[4-chloro-2-fluoro-5-(thian-3-ylmethoxy)phenyl]-4,5,6,7-tetrahydro-2H-indazol-3-one Traditional Name: 1-[4-chloro-2-fluoro-5-(tetrahydrothiopyran-3-ylmethoxy)phenyl]-4,5,6,7-tetrahydro-2H-indazol-3-one Formula: C19H22ClFN2O2S MolecularWeight: 396.906583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)NN2C3=CC(=C(C=C3F)Cl)OCC4CCCSC4

Isomeric SMILES

C1CCC2=C(C1)C(=O)NN2C3=CC(=C(C=C3F)Cl)OCC4CCCSC4

InChI

InChI=1S/C19H22ClFN2O2S/c20-14-8-15(21)17(9-18(14)25-10-12-4-3-7-26-11-12)23-16-6-2-1-5-13(16)19(24)22-23/h8-9,12H,1-7,10-11H2,(H,22,24)