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

Systemtic Name: 2-[(2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(6-isopropyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylthio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(6-isopropyl-2-keto-chromen-4-yl)methylthio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C24H21F3N2O2S MolecularWeight: 458.49595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=O)C=C2CSC3=NC4=C(CCCC4)C(=C3C#N)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=O)C=C2CSC3=NC4=C(CCCC4)C(=C3C#N)C(F)(F)F

InChI

InChI=1S/C24H21F3N2O2S/c1-13(2)14-7-8-20-17(9-14)15(10-21(30)31-20)12-32-23-18(11-28)22(24(25,26)27)16-5-3-4-6-19(16)29-23/h7-10,13H,3-6,12H2,1-2H3