4-[(7-methylsulfanylquinolin-4-yl)sulfanylmethyl]-N-(3,5,5-trimethylhexyl)aniline

Systemtic Name: 4-[(7-methylsulfanylquinolin-4-yl)sulfanylmethyl]-N-(3,5,5-trimethylhexyl)aniline Openeye Name: 4-[(7-methylsulfanyl-4-quinolyl)sulfanylmethyl]-N-(3,5,5-trimethylhexyl)aniline CAS Name: 4-[[[7-(methylthio)-4-quinolinyl]thio]methyl]-N-(3,5,5-trimethylhexyl)aniline IUPAC Name: 4-[(7-methylsulfanylquinolin-4-yl)sulfanylmethyl]-N-(3,5,5-trimethylhexyl)aniline Traditional Name: [4-[[[7-(methylthio)-4-quinolyl]thio]methyl]phenyl]-(3,5,5-trimethylhexyl)amine Formula: C26H34N2S2 MolecularWeight: 438.69156

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=CC=C(C=C1)CSC2=C3C=CC(=CC3=NC=C2)SC)CC(C)(C)C

Isomeric SMILES

CC(CCNC1=CC=C(C=C1)CSC2=C3C=CC(=CC3=NC=C2)SC)CC(C)(C)C

InChI

InChI=1S/C26H34N2S2/c1-19(17-26(2,3)4)12-14-27-21-8-6-20(7-9-21)18-30-25-13-15-28-24-16-22(29-5)10-11-23(24)25/h6-11,13,15-16,19,27H,12,14,17-18H2,1-5H3