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

Systemtic Name: 1-ethyl-3-[(4-methylphenyl)sulfonylmethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-ethyl-3-(p-tolylsulfonylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-ethyl-3-[(4-methylphenyl)sulfonylmethylthio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-ethyl-3-[(4-methylphenyl)sulfonylmethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-ethyl-3-(tosylmethylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCS(=O)(=O)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCS(=O)(=O)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C20H22N2O2S2/c1-3-19-17-7-5-4-6-16(17)18(12-21)20(22-19)25-13-26(23,24)15-10-8-14(2)9-11-15/h8-11H,3-7,13H2,1-2H3