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

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H16Cl2N2S2 MolecularWeight: 431.40114

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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)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C21H16Cl2N2S2/c22-17-8-7-13(10-18(17)23)12-27-21-16(11-24)14-4-1-2-5-15(14)20(25-21)19-6-3-9-26-19/h3,6-10H,1-2,4-5,12H2