1-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 1-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-fluorophenyl)-3-[2-(methylthio)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-fluorophenyl)-3-[2-(methylthio)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H20FN3S MolecularWeight: 353.456303

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC=CC=C1C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3S/c1-25-18-8-3-2-6-16(18)19-17-7-4-5-13-22-20(17)24(23-19)15-11-9-14(21)10-12-15/h2-3,6,8-12,23H,4-5,7,13H2,1H3