3-[(2-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(2-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(2-fluorophenyl)methylthio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(2-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(2-fluorobenzyl)thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C17H15FN2S MolecularWeight: 298.377803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=NC=C2C1)SCC3=CC=CC=C3F)C#N

Isomeric SMILES

C1CCC2=C(C(=NC=C2C1)SCC3=CC=CC=C3F)C#N

InChI

InChI=1S/C17H15FN2S/c18-16-8-4-2-6-13(16)11-21-17-15(9-19)14-7-3-1-5-12(14)10-20-17/h2,4,6,8,10H,1,3,5,7,11H2