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

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(4-cyanophenyl)methylthio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(4-cyanobenzyl)thio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C19H14F3N3S MolecularWeight: 373.39477

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)C#N)C#N)C(F)(F)F

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)C#N)C#N)C(F)(F)F

InChI

InChI=1S/C19H14F3N3S/c20-19(21,22)17-14-3-1-2-4-16(14)25-18(15(17)10-24)26-11-13-7-5-12(9-23)6-8-13/h5-8H,1-4,11H2