Chem
J-GLOBAL ID：200907093006404535   Nikkaji number：J1.141.362E

2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-13-[(6,7-dimethoxy-3,4-dihydroisoquinoline)-2(1H)-yl]tridecanenitrile

2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-13-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]トリデカンニトリル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C39H52N2O4S
Molecular formula furigana： C39-H52-N2-O4-S
Molecular weight： 644.920
InChI： InChI=1S/C39H52N2O4S/c1-30-15-18-34(19-16-30)46-39(29-40,33-17-20-35(42-2)38(27-33)45-5)22-13-11-9-7-6-8-10-12-14-23-41-24-21-31-25-36(43-3)37(44-4)26-32(31)28-41/h15-20,25-27H,6-14,21-24,28H2,1-5H3
InChI key： IZEJYKHRRCVIEM-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCCCCCCCCCCN1CCc2cc(OC)c(OC)cc2C1)(Sc1ccc(C)cc1)C#N
Systematic name  (3)：
  • 2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-13-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]トリデカンニトリル
  • 13-(6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン-2-イル)-2-(3,4-ジメトキシフェニル)-2-[(4-メチルフェニル)スルファニル]トリデカンニトリル
  • 13-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfanyl]tridecanenitrile
Other name (1)：
  • 2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-13-[(6,7-dimethoxy-3,4-dihydroisoquinoline)-2(1H)-yl]tridecanenitrile
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