2-(3-methoxy-5-methylsulfanyl-4-propoxy-phenyl)-2-(3,4,5-trimethoxyphenyl)hexanedinitrile

Systemtic Name: 2-(3-methoxy-5-methylsulfanyl-4-propoxy-phenyl)-2-(3,4,5-trimethoxyphenyl)hexanedinitrile Openeye Name: 2-(3-methoxy-5-methylsulfanyl-4-propoxy-phenyl)-2-(3,4,5-trimethoxyphenyl)hexanedinitrile CAS Name: 2-[3-methoxy-5-(methylthio)-4-propoxyphenyl]-2-(3,4,5-trimethoxyphenyl)hexanedinitrile IUPAC Name: 2-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)-2-(3,4,5-trimethoxyphenyl)hexanedinitrile Traditional Name: 2-[3-methoxy-5-(methylthio)-4-propoxy-phenyl]-2-(3,4,5-trimethoxyphenyl)adiponitrile Formula: C26H32N2O5S MolecularWeight: 484.60768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1SC)C(CCCC#N)(C#N)C2=CC(=C(C(=C2)OC)OC)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1SC)C(CCCC#N)(C#N)C2=CC(=C(C(=C2)OC)OC)OC)OC

InChI

InChI=1S/C26H32N2O5S/c1-7-12-33-25-22(31-4)15-19(16-23(25)34-6)26(17-28,10-8-9-11-27)18-13-20(29-2)24(32-5)21(14-18)30-3/h13-16H,7-10,12H2,1-6H3