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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(C(C#N)C2=CC(=C(C(=C2)OC)OC)OC)C(C(C#N)OC)SC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(C(C#N)C2=CC(=C(C(=C2)OC)OC)OC)C(C(C#N)OC)SC

InChI

InChI=1S/C26H32N2O5S/c1-7-11-33-19-10-8-9-17(12-19)24(26(34-6)23(16-28)31-4)20(15-27)18-13-21(29-2)25(32-5)22(14-18)30-3/h8-10,12-14,20,23-24,26H,7,11H2,1-6H3