2,3-dimethoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]benzenecarbonitrile

Systemtic Name: 2,3-dimethoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]benzenecarbonitrile Openeye Name: 2,3-dimethoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]benzonitrile CAS Name: 2,3-dimethoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]benzonitrile IUPAC Name: 2,3-dimethoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]benzonitrile Traditional Name: 2,3-dimethoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]benzonitrile Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CSC(S2)C3=CC(=C(C(=C3)C#N)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CSC(S2)C3=CC(=C(C(=C3)C#N)OC)OC

InChI

InChI=1S/C21H23NO5S2/c1-23-15-9-13(6-14(10-22)19(15)26-4)21-28-11-18(29-21)12-7-16(24-2)20(27-5)17(8-12)25-3/h6-9,18,21H,11H2,1-5H3