2,6-bis[(3,4,5-trimethoxyphenyl)sulfanyl]benzenecarbonitrile

Systemtic Name: 2,6-bis[(3,4,5-trimethoxyphenyl)sulfanyl]benzenecarbonitrile Openeye Name: 2,6-bis[(3,4,5-trimethoxyphenyl)sulfanyl]benzonitrile CAS Name: 2,6-bis[(3,4,5-trimethoxyphenyl)thio]benzonitrile IUPAC Name: 2,6-bis[(3,4,5-trimethoxyphenyl)sulfanyl]benzonitrile Traditional Name: 2,6-bis[(3,4,5-trimethoxyphenyl)thio]benzonitrile Formula: C25H25NO6S2 MolecularWeight: 499.5991

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=C(C(=CC=C2)SC3=CC(=C(C(=C3)OC)OC)OC)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=C(C(=CC=C2)SC3=CC(=C(C(=C3)OC)OC)OC)C#N

InChI

InChI=1S/C25H25NO6S2/c1-27-18-10-15(11-19(28-2)24(18)31-5)33-22-8-7-9-23(17(22)14-26)34-16-12-20(29-3)25(32-6)21(13-16)30-4/h7-13H,1-6H3