3-[(4-chlorophenyl)methylsulfanyl]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(4-chlorophenyl)methylthio]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(4-chlorobenzyl)thio]-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H17ClN2S2 MolecularWeight: 396.95608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C21H17ClN2S2/c22-15-9-7-14(8-10-15)13-26-21-18(12-23)16-4-1-2-5-17(16)20(24-21)19-6-3-11-25-19/h3,6-11H,1-2,4-5,13H2