1-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-ethyl-3-[(4-methoxyphenyl)methylthio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-ethyl-3-(p-anisylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C20H22N2OS/c1-3-19-17-7-5-4-6-16(17)18(12-21)20(22-19)24-13-14-8-10-15(23-2)11-9-14/h8-11H,3-7,13H2,1-2H3