N-[[2-(2-fluoranylphenoxy)pyridin-3-yl]methyl]-1,4-dithiepan-6-amine

Systemtic Name: N-[[2-(2-fluoranylphenoxy)pyridin-3-yl]methyl]-1,4-dithiepan-6-amine Openeye Name: N-[[2-(2-fluorophenoxy)-3-pyridyl]methyl]-1,4-dithiepan-6-amine CAS Name: N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,4-dithiepan-6-amine IUPAC Name: N-[[2-(2-fluorophenoxy)pyridin-3-yl]methyl]-1,4-dithiepan-6-amine Traditional Name: 1,4-dithiepan-6-yl-[[2-(2-fluorophenoxy)-3-pyridyl]methyl]amine Formula: C17H19FN2OS2 MolecularWeight: 350.473963

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(CS1)NCC2=C(N=CC=C2)OC3=CC=CC=C3F

Isomeric SMILES

C1CSCC(CS1)NCC2=C(N=CC=C2)OC3=CC=CC=C3F

InChI

InChI=1S/C17H19FN2OS2/c18-15-5-1-2-6-16(15)21-17-13(4-3-7-19-17)10-20-14-11-22-8-9-23-12-14/h1-7,14,20H,8-12H2