1-[2-(4-fluorophenyl)sulfanylethyl]-1,4-diazepane

Systemtic Name: 1-[2-(4-fluorophenyl)sulfanylethyl]-1,4-diazepane Openeye Name: 1-[2-(4-fluorophenyl)sulfanylethyl]-1,4-diazepane CAS Name: 1-[2-[(4-fluorophenyl)thio]ethyl]-1,4-diazepane IUPAC Name: 1-[2-(4-fluorophenyl)sulfanylethyl]-1,4-diazepane Traditional Name: 1-[2-[(4-fluorophenyl)thio]ethyl]-1,4-diazepane Formula: C13H19FN2S MolecularWeight: 254.366763

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CCSC2=CC=C(C=C2)F

Isomeric SMILES

C1CNCCN(C1)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C13H19FN2S/c14-12-2-4-13(5-3-12)17-11-10-16-8-1-6-15-7-9-16/h2-5,15H,1,6-11H2