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1-Methyl-3-[3-(4-methylphenyl)sulfanyl-2-oxidanyl-propyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SpectraBase Compound ID 1gPDySIBekO
InChI InChI=1S/C21H24N2OS2/c1-14-7-9-17(10-8-14)25-12-16(24)13-26-21-20(11-22)19-6-4-3-5-18(19)15(2)23-21/h7-10,16,24H,3-6,12-13H2,1-2H3
InChIKey CBEWZEOYGFTWEW-UHFFFAOYSA-N
Mol Weight 384.56 g/mol
Molecular Formula C21H24N2OS2
Exact Mass 384.133006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xhK9OvYqMl
Name 1-Methyl-3-[3-(4-methylphenyl)sulfanyl-2-oxidanyl-propyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
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Formula C21H24N2OS2
InChI InChI=1S/C21H24N2OS2/c1-14-7-9-17(10-8-14)25-12-16(24)13-26-21-20(11-22)19-6-4-3-5-18(19)15(2)23-21/h7-10,16,24H,3-6,12-13H2,1-2H3
InChIKey CBEWZEOYGFTWEW-UHFFFAOYSA-N
Molecular Weight 384.556 g/mol
SMILES OC(CSc1c(c2c(c(C)n1)CCCC2)C#N)CSc1ccc(cc1)C
SPLASH splash10-0002-1391000000-bcddaacdc7165dc2ac8a
Synonyms 3-[2-hydroxy-3-(4-methylphenyl)sulfanylpropyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 3-[[2-hydroxy-3-(p-tolylthio)propyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 3-[[2-hydroxy-3-[(4-methylphenyl)thio]propyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Wiley ID 1510922