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

Systemtic Name: 3-[(3-fluorophenyl)methylsulfanyl]-1-(3-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(3-fluorophenyl)methylsulfanyl]-1-(m-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(3-fluorophenyl)methylthio]-1-(3-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(3-fluorophenyl)methylsulfanyl]-1-(3-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(3-fluorobenzyl)thio]-1-(m-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C24H21FN2S MolecularWeight: 388.500343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C3CCCCC3=C(C(=N2)SCC4=CC(=CC=C4)F)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C3CCCCC3=C(C(=N2)SCC4=CC(=CC=C4)F)C#N

InChI

InChI=1S/C24H21FN2S/c1-16-6-4-8-18(12-16)23-21-11-3-2-10-20(21)22(14-26)24(27-23)28-15-17-7-5-9-19(25)13-17/h4-9,12-13H,2-3,10-11,15H2,1H3