2-[6-(4-ethyl-2-sulfanyl-phenyl)-4-(methylamino)hexyl]-2-(3-methoxyphenyl)tetradecanenitrile

Systemtic Name: 2-[6-(4-ethyl-2-sulfanyl-phenyl)-4-(methylamino)hexyl]-2-(3-methoxyphenyl)tetradecanenitrile Openeye Name: 2-[6-(4-ethyl-2-sulfanyl-phenyl)-4-(methylamino)hexyl]-2-(3-methoxyphenyl)tetradecanenitrile CAS Name: 2-[6-(4-ethyl-2-mercaptophenyl)-4-(methylamino)hexyl]-2-(3-methoxyphenyl)tetradecanenitrile IUPAC Name: 2-[6-(4-ethyl-2-sulfanylphenyl)-4-(methylamino)hexyl]-2-(3-methoxyphenyl)tetradecanenitrile Traditional Name: 2-[6-(4-ethyl-2-mercapto-phenyl)-4-(methylamino)hexyl]-2-(3-methoxyphenyl)myristonitrile Formula: C36H56N2OS MolecularWeight: 564.90764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCC(CCC1=C(C=C(C=C1)CC)S)NC)(C#N)C2=CC(=CC=C2)OC

Isomeric SMILES

CCCCCCCCCCCCC(CCCC(CCC1=C(C=C(C=C1)CC)S)NC)(C#N)C2=CC(=CC=C2)OC

InChI

InChI=1S/C36H56N2OS/c1-5-7-8-9-10-11-12-13-14-15-25-36(29-37,32-18-16-20-34(28-32)39-4)26-17-19-33(38-3)24-23-31-22-21-30(6-2)27-35(31)40/h16,18,20-22,27-28,33,38,40H,5-15,17,19,23-26H2,1-4H3