4-[3-(trideuteriomethyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(trideuteriomethyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl]benzenecarbonitrile Openeye Name: 4-[3-(trideuteriomethyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl]benzonitrile CAS Name: 4-[3-(trideuteriomethyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl]benzonitrile IUPAC Name: 4-[3-(trideuteriomethyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl]benzonitrile Traditional Name: 4-[3-(trideuteriomethyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl]benzonitrile Formula: C13H13NS2 MolecularWeight: 250.397505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SCCCS1)C2=CC=C(C=C2)C#N

Isomeric SMILES

[2H]C([2H])([2H])C1=C(SCCCS1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H13NS2/c1-10-13(16-8-2-7-15-10)12-5-3-11(9-14)4-6-12/h3-6H,2,7-8H2,1H3/i1D3