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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC3=CC4=C(C=C3Cl)OCO4)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC3=CC4=C(C=C3Cl)OCO4)C#N

InChI

InChI=1S/C20H19ClN2O2S/c1-2-17-14-6-4-3-5-13(14)15(9-22)20(23-17)26-10-12-7-18-19(8-16(12)21)25-11-24-18/h7-8H,2-6,10-11H2,1H3