3-butylsulfanyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-butylsulfanyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-butylsulfanyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(butylthio)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-butylsulfanyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(butylthio)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C2CCCCC2=C1C#N)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCCSC1=NC(=C2CCCCC2=C1C#N)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H28N2O3S/c1-5-6-11-29-23-18(14-24)16-9-7-8-10-17(16)21(25-23)15-12-19(26-2)22(28-4)20(13-15)27-3/h12-13H,5-11H2,1-4H3