2-[(7-methyl-5-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(7-methyl-5-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(5-hydroxy-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(5-hydroxy-7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(5-hydroxy-7-methyl-2-oxochromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(5-hydroxy-2-keto-7-methyl-chromen-4-yl)methylthio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H17F3N2O3S MolecularWeight: 446.44219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)CSC3=NC4=C(CCCC4)C(=C3C#N)C(F)(F)F)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)CSC3=NC4=C(CCCC4)C(=C3C#N)C(F)(F)F)C(=C1)O

InChI

InChI=1S/C22H17F3N2O3S/c1-11-6-16(28)19-12(8-18(29)30-17(19)7-11)10-31-21-14(9-26)20(22(23,24)25)13-4-2-3-5-15(13)27-21/h6-8,28H,2-5,10H2,1H3