3-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]benzonitrile CAS Name: 3-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]benzonitrile IUPAC Name: 3-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]benzonitrile Traditional Name: 3-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]benzonitrile Formula: C17H15NOS2 MolecularWeight: 313.4371

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H15NOS2/c18-11-13-2-1-3-14(10-13)12-19-16-6-4-15(5-7-16)17-20-8-9-21-17/h1-7,10,17H,8-9,12H2