4-[(7-methylsulfanylquinolin-2-yl)sulfanylmethyl]-N-(3,5,5-trimethylhexyl)aniline

Systemtic Name: 4-[(7-methylsulfanylquinolin-2-yl)sulfanylmethyl]-N-(3,5,5-trimethylhexyl)aniline Openeye Name: 4-[(7-methylsulfanyl-2-quinolyl)sulfanylmethyl]-N-(3,5,5-trimethylhexyl)aniline CAS Name: 4-[[[7-(methylthio)-2-quinolinyl]thio]methyl]-N-(3,5,5-trimethylhexyl)aniline IUPAC Name: 4-[(7-methylsulfanylquinolin-2-yl)sulfanylmethyl]-N-(3,5,5-trimethylhexyl)aniline Traditional Name: [4-[[[7-(methylthio)-2-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=NC3=C(C=CC(=C3)SC)C=C2)CC(C)(C)C

Isomeric SMILES

CC(CCNC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)SC)C=C2)CC(C)(C)C

InChI

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