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2-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]tridecanenitrile

2-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]tridecanenitrile

Systemtic Name:2-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]tridecanenitrile
Openeye Name:2-[1-(p-tolylsulfanyl)-1H-isoquinolin-2-yl]tridecanenitrile
CAS Name:2-[1-[(4-methylphenyl)thio]-1H-isoquinolin-2-yl]tridecanenitrile
IUPAC Name:2-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]tridecanenitrile
Traditional Name:2-[1-(p-tolylthio)-1H-isoquinolin-2-yl]tridecanenitrile
Formula: C29H38N2S
MolecularWeight: 446.69042
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C#N)N1C=CC2=CC=CC=C2C1SC3=CC=C(C=C3)C


Isomeric SMILES

CCCCCCCCCCCC(C#N)N1C=CC2=CC=CC=C2C1SC3=CC=C(C=C3)C


InChI

InChI=1S/C29H38N2S/c1-3-4-5-6-7-8-9-10-11-15-26(23-30)31-22-21-25-14-12-13-16-28(25)29(31)32-27-19-17-24(2)18-20-27/h12-14,16-22,26,29H,3-11,15H2,1-2H3


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