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

Systemtic Name: 2-[4-(methylamino)-6-(3-methyl-2-sulfanyl-phenyl)hexyl]-2-(3-methyl-2-sulfanyl-phenyl)tetradecanenitrile Openeye Name: 2-[4-(methylamino)-6-(3-methyl-2-sulfanyl-phenyl)hexyl]-2-(3-methyl-2-sulfanyl-phenyl)tetradecanenitrile CAS Name: 2-(2-mercapto-3-methylphenyl)-2-[6-(2-mercapto-3-methylphenyl)-4-(methylamino)hexyl]tetradecanenitrile IUPAC Name: 2-[4-(methylamino)-6-(3-methyl-2-sulfanylphenyl)hexyl]-2-(3-methyl-2-sulfanylphenyl)tetradecanenitrile Traditional Name: 2-(2-mercapto-3-methyl-phenyl)-2-[6-(2-mercapto-3-methyl-phenyl)-4-(methylamino)hexyl]myristonitrile Formula: C35H54N2S2 MolecularWeight: 566.94666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCC(CCC1=CC=CC(=C1S)C)NC)(C#N)C2=CC=CC(=C2S)C

Isomeric SMILES

CCCCCCCCCCCCC(CCCC(CCC1=CC=CC(=C1S)C)NC)(C#N)C2=CC=CC(=C2S)C

InChI

InChI=1S/C35H54N2S2/c1-5-6-7-8-9-10-11-12-13-14-25-35(27-36,32-22-16-19-29(3)34(32)39)26-17-21-31(37-4)24-23-30-20-15-18-28(2)33(30)38/h15-16,18-20,22,31,37-39H,5-14,17,21,23-26H2,1-4H3