3-(2,3-dimethoxyphenyl)-3-(1,3-dithian-2-yl)propanenitrile

Systemtic Name: 3-(2,3-dimethoxyphenyl)-3-(1,3-dithian-2-yl)propanenitrile Openeye Name: 3-(2,3-dimethoxyphenyl)-3-(1,3-dithian-2-yl)propanenitrile CAS Name: 3-(2,3-dimethoxyphenyl)-3-(1,3-dithian-2-yl)propanenitrile IUPAC Name: 3-(2,3-dimethoxyphenyl)-3-(1,3-dithian-2-yl)propanenitrile Traditional Name: 3-(2,3-dimethoxyphenyl)-3-(1,3-dithian-2-yl)propionitrile Formula: C15H19NO2S2 MolecularWeight: 309.44686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(CC#N)C2SCCCS2

Isomeric SMILES

COC1=CC=CC(=C1OC)C(CC#N)C2SCCCS2

InChI

InChI=1S/C15H19NO2S2/c1-17-13-6-3-5-11(14(13)18-2)12(7-8-16)15-19-9-4-10-20-15/h3,5-6,12,15H,4,7,9-10H2,1-2H3