2-(4-chloranyl-2-fluoranyl-5-prop-2-ynylsulfanyl-phenyl)-4,5,6,7-tetrahydro-3aH-indazol-3-one

Systemtic Name: 2-(4-chloranyl-2-fluoranyl-5-prop-2-ynylsulfanyl-phenyl)-4,5,6,7-tetrahydro-3aH-indazol-3-one Openeye Name: 2-(4-chloro-2-fluoro-5-prop-2-ynylsulfanyl-phenyl)-4,5,6,7-tetrahydro-3aH-indazol-3-one CAS Name: 2-[4-chloro-2-fluoro-5-(prop-2-ynylthio)phenyl]-4,5,6,7-tetrahydro-3aH-indazol-3-one IUPAC Name: 2-(4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)-4,5,6,7-tetrahydro-3aH-indazol-3-one Traditional Name: 2-[4-chloro-2-fluoro-5-(propargylthio)phenyl]-4,5,6,7-tetrahydro-3aH-indazol-3-one Formula: C16H14ClFN2OS MolecularWeight: 336.811563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=C(C=C(C(=C1)N2C(=O)C3CCCCC3=N2)F)Cl

Isomeric SMILES

C#CCSC1=C(C=C(C(=C1)N2C(=O)C3CCCCC3=N2)F)Cl

InChI

InChI=1S/C16H14ClFN2OS/c1-2-7-22-15-9-14(12(18)8-11(15)17)20-16(21)10-5-3-4-6-13(10)19-20/h1,8-10H,3-7H2