3-[deuterio-methylsulfanyl-(phenylsulfonyl)methyl]benzenecarbonitrile

Systemtic Name: 3-[deuterio-methylsulfanyl-(phenylsulfonyl)methyl]benzenecarbonitrile Openeye Name: 3-(benzenesulfonyl-deuterio-methylsulfanyl-methyl)benzonitrile CAS Name: 3-[benzenesulfonyl-deuterio-(methylthio)methyl]benzonitrile IUPAC Name: 3-(benzenesulfonyl-deuterio-methylsulfanylmethyl)benzonitrile Traditional Name: 3-[besyl-deuterio-(methylthio)methyl]benzonitrile Formula: C15H13NO2S2 MolecularWeight: 304.405382

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C1=CC=CC(=C1)C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

[2H]C(C1=CC=CC(=C1)C#N)(SC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H13NO2S2/c1-19-15(13-7-5-6-12(10-13)11-16)20(17,18)14-8-3-2-4-9-14/h2-10,15H,1H3/i15D