2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)cyclohepta[b]pyrrole

Systemtic Name: 2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)cyclohepta[b]pyrrole Openeye Name: 2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)cyclohepta[b]pyrrole CAS Name: 2-(4-fluorophenyl)-3-[2-(methylthio)-4-pyrimidinyl]cyclohepta[b]pyrrole IUPAC Name: 2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)cyclohepta[b]pyrrole Traditional Name: 2-(4-fluorophenyl)-3-[2-(methylthio)pyrimidin-4-yl]cyclohepta[b]pyrrole Formula: C20H14FN3S MolecularWeight: 347.408663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=C(N=C3C2=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=NC=CC(=N1)C2=C(N=C3C2=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H14FN3S/c1-25-20-22-12-11-17(24-20)18-15-5-3-2-4-6-16(15)23-19(18)13-7-9-14(21)10-8-13/h2-12H,1H3