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

Systemtic Name: 2-[[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]methyl]benzonitrile CAS Name: 2-[[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]methyl]benzonitrile Traditional Name: 2-[[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]methyl]benzonitrile Formula: C18H17NO2S2 MolecularWeight: 343.46308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H17NO2S2/c1-20-17-10-13(18-22-8-9-23-18)6-7-16(17)21-12-15-5-3-2-4-14(15)11-19/h2-7,10,18H,8-9,12H2,1H3