2-(phenylmethylsulfanyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-(phenylmethylsulfanyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(phenylmethylthio)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C18H15F3N2S MolecularWeight: 348.38531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N2S/c19-18(20,21)16-13-8-4-5-9-15(13)23-17(14(16)10-22)24-11-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-9,11H2