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

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H16Cl2N2S MolecularWeight: 363.30404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)SCC3=CC(=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)SCC3=CC(=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C18H16Cl2N2S/c1-11-13-4-2-3-5-14(13)15(9-21)18(22-11)23-10-12-6-7-16(19)17(20)8-12/h6-8H,2-5,10H2,1H3