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

Systemtic Name: 3-methylsulfanyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-methylsulfanyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(methylthio)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-methylsulfanyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(methylthio)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C3CCCCC3=C(C(=N2)SC)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C3CCCCC3=C(C(=N2)SC)C#N

InChI

InChI=1S/C20H22N2O3S/c1-23-16-9-12(10-17(24-2)19(16)25-3)18-14-8-6-5-7-13(14)15(11-21)20(22-18)26-4/h9-10H,5-8H2,1-4H3