3-[(3,4-dichlorophenyl)methylsulfanyl]-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-morpholino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-1-morpholino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H21Cl2N3OS MolecularWeight: 434.38194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC(=C(C=C3)Cl)Cl)N4CCOCC4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC(=C(C=C3)Cl)Cl)N4CCOCC4

InChI

InChI=1S/C21H21Cl2N3OS/c22-18-6-5-14(11-19(18)23)13-28-21-17(12-24)15-3-1-2-4-16(15)20(25-21)26-7-9-27-10-8-26/h5-6,11H,1-4,7-10,13H2