2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-(p-tolylmethylsulfanyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(4-methylphenyl)methylthio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(4-methylbenzyl)thio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C19H17F3N2S MolecularWeight: 362.41189

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=C2C#N)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=C2C#N)C(F)(F)F

InChI

InChI=1S/C19H17F3N2S/c1-12-6-8-13(9-7-12)11-25-18-15(10-23)17(19(20,21)22)14-4-2-3-5-16(14)24-18/h6-9H,2-5,11H2,1H3