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

Systemtic Name: 1-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-(m-tolyl)-3-(m-tolylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(3-methylphenyl)-3-[(3-methylphenyl)methylthio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(3-methylbenzyl)thio]-1-(m-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C25H24N2S MolecularWeight: 384.53646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=C3CCCCC3=C2C#N)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=C3CCCCC3=C2C#N)C4=CC(=CC=C4)C

InChI

InChI=1S/C25H24N2S/c1-17-7-5-9-19(13-17)16-28-25-23(15-26)21-11-3-4-12-22(21)24(27-25)20-10-6-8-18(2)14-20/h5-10,13-14H,3-4,11-12,16H2,1-2H3