1-[2-[phenyl(pyridin-2-yl)methyl]sulfanylethyl]azepane

Systemtic Name: 1-[2-[phenyl(pyridin-2-yl)methyl]sulfanylethyl]azepane Openeye Name: 1-[2-[phenyl(2-pyridyl)methyl]sulfanylethyl]azepane CAS Name: 1-[2-[[phenyl(2-pyridinyl)methyl]thio]ethyl]azepane IUPAC Name: 1-[2-[phenyl(pyridin-2-yl)methyl]sulfanylethyl]azepane Traditional Name: 1-[2-[[phenyl(2-pyridyl)methyl]thio]ethyl]azepane Formula: C20H26N2S MolecularWeight: 326.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCSC(C2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

C1CCCN(CC1)CCSC(C2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C20H26N2S/c1-2-9-15-22(14-8-1)16-17-23-20(18-10-4-3-5-11-18)19-12-6-7-13-21-19/h3-7,10-13,20H,1-2,8-9,14-17H2