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

Systemtic Name: 4-[[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]methyl]benzonitrile CAS Name: 4-[[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]methyl]benzonitrile IUPAC Name: 4-[[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]methyl]benzonitrile Traditional Name: 4-[[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=C(C=C3)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OCC3=CC=C(C=C3)C#N

InChI

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