6-methyl-2-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylthio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C21H15F3N2O2S MolecularWeight: 416.41621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC(=O)OC3=CC4=C(CCC4)C=C23

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC(=O)OC3=CC4=C(CCC4)C=C23

InChI

InChI=1S/C21H15F3N2O2S/c1-11-5-17(21(22,23)24)16(9-25)20(26-11)29-10-14-8-19(27)28-18-7-13-4-2-3-12(13)6-15(14)18/h5-8H,2-4,10H2,1H3