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

Systemtic Name: 3-ethylsulfanyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-ethylsulfanyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(ethylthio)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-ethylsulfanyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(ethylthio)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C2CCCCC2=C1C#N)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCSC1=NC(=C2CCCCC2=C1C#N)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H24N2O3S/c1-5-27-21-16(12-22)14-8-6-7-9-15(14)19(23-21)13-10-17(24-2)20(26-4)18(11-13)25-3/h10-11H,5-9H2,1-4H3