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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(4-chlorophenyl)methylthio]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(4-chlorobenzyl)thio]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C19H19ClN2S MolecularWeight: 342.88556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2S/c1-2-18-16-6-4-3-5-15(16)17(11-21)19(22-18)23-12-13-7-9-14(20)10-8-13/h7-10H,2-6,12H2,1H3